## Copyright 2002 by PyMMLib Development Group (see AUTHORS file) ## This code is part of the PyMMLib distrobution and governed by ## its license. Please see the LICENSE file that should have been ## included as part of this package. """Symmetry operations as functions on vectors or arrays. """ from __future__ import generators from mmTypes import * ## 64 unique rotation matricies Rot_Z_mY_X = array([[ 0.0, 0.0, 1.0], [ 0.0,-1.0, 0.0], [ 1.0, 0.0, 0.0]]) Rot_Y_mX_mZ = array([[ 0.0, 1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_XmY_X_mZ = array([[ 1.0,-1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_mX_Y_mZ = array([[-1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_X_mZ_Y = array([[ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0], [ 0.0, 1.0, 0.0]]) Rot_Y_mXY_Z = array([[ 0.0, 1.0, 0.0], [-1.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_Y_mX_Z = array([[ 0.0, 1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_XmY_X_Z = array([[ 1.0,-1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_mX_mXY_mZ = array([[-1.0, 0.0, 0.0], [-1.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_Y_Z_X = array([[ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0], [ 1.0, 0.0, 0.0]]) Rot_mY_mZ_X = array([[ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0], [ 1.0, 0.0, 0.0]]) Rot_X_Z_mY = array([[ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0], [ 0.0,-1.0, 0.0]]) Rot_XmY_mY_Z = array([[ 1.0,-1.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_Y_X_mZ = array([[ 0.0, 1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_Y_mZ_X = array([[ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0], [ 1.0, 0.0, 0.0]]) Rot_mXY_Y_Z = array([[-1.0, 1.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_mX_mY_mZ = array([[-1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_X_Y_mZ = array([[ 1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_mXY_mX_Z = array([[-1.0, 1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_mZ_mY_mX = array([[ 0.0, 0.0,-1.0], [ 0.0,-1.0, 0.0], [-1.0, 0.0, 0.0]]) Rot_X_mZ_mY = array([[ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0], [ 0.0,-1.0, 0.0]]) Rot_X_Y_Z = array([[ 1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_mY_mX_mZ = array([[ 0.0,-1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_mY_X_Z = array([[ 0.0,-1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_Z_X_Y = array([[ 0.0, 0.0, 1.0], [ 1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0]]) Rot_X_XmY_Z = array([[ 1.0, 0.0, 0.0], [ 1.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_mY_X_mZ = array([[ 0.0,-1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_mY_Z_mX = array([[ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0], [-1.0, 0.0, 0.0]]) Rot_mY_Z_X = array([[ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0], [ 1.0, 0.0, 0.0]]) Rot_mX_mZ_mY = array([[-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0], [ 0.0,-1.0, 0.0]]) Rot_mX_Z_Y = array([[-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0], [ 0.0, 1.0, 0.0]]) Rot_mZ_mX_mY = array([[ 0.0, 0.0,-1.0], [-1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0]]) Rot_X_XmY_mZ = array([[ 1.0, 0.0, 0.0], [ 1.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_mY_XmY_mZ = array([[ 0.0,-1.0, 0.0], [ 1.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_Z_X_mY = array([[ 0.0, 0.0, 1.0], [ 1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0]]) Rot_mZ_mY_X = array([[ 0.0, 0.0,-1.0], [ 0.0,-1.0, 0.0], [ 1.0, 0.0, 0.0]]) Rot_X_Z_Y = array([[ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0], [ 0.0, 1.0, 0.0]]) Rot_Z_mX_mY = array([[ 0.0, 0.0, 1.0], [-1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0]]) Rot_mX_Z_mY = array([[-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0], [ 0.0,-1.0, 0.0]]) Rot_X_mY_Z = array([[ 1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_mY_mX_Z = array([[ 0.0,-1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_Z_mY_mX = array([[ 0.0, 0.0, 1.0], [ 0.0,-1.0, 0.0], [-1.0, 0.0, 0.0]]) Rot_mX_mY_Z = array([[-1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_Z_Y_X = array([[ 0.0, 0.0, 1.0], [ 0.0, 1.0, 0.0], [ 1.0, 0.0, 0.0]]) Rot_mZ_Y_mX = array([[ 0.0, 0.0,-1.0], [ 0.0, 1.0, 0.0], [-1.0, 0.0, 0.0]]) Rot_Y_Z_mX = array([[ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0], [-1.0, 0.0, 0.0]]) Rot_mY_XmY_Z = array([[ 0.0,-1.0, 0.0], [ 1.0,-1.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_mXY_Y_mZ = array([[-1.0, 1.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_mZ_mX_Y = array([[ 0.0, 0.0,-1.0], [-1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0]]) Rot_mX_mZ_Y = array([[-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0], [ 0.0, 1.0, 0.0]]) Rot_mX_Y_Z = array([[-1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_X_mY_mZ = array([[ 1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_mZ_X_Y = array([[ 0.0, 0.0,-1.0], [ 1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0]]) Rot_Y_mZ_mX = array([[ 0.0, 1.0, 0.0], [ 0.0, 0.0,-1.0], [-1.0, 0.0, 0.0]]) Rot_mY_mZ_mX = array([[ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0], [-1.0, 0.0, 0.0]]) Rot_mZ_Y_X = array([[ 0.0, 0.0,-1.0], [ 0.0, 1.0, 0.0], [ 1.0, 0.0, 0.0]]) Rot_Z_Y_mX = array([[ 0.0, 0.0, 1.0], [ 0.0, 1.0, 0.0], [-1.0, 0.0, 0.0]]) Rot_mXY_mX_mZ = array([[-1.0, 1.0, 0.0], [-1.0, 0.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_XmY_mY_mZ = array([[ 1.0,-1.0, 0.0], [ 0.0,-1.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_Z_mX_Y = array([[ 0.0, 0.0, 1.0], [-1.0, 0.0, 0.0], [ 0.0, 1.0, 0.0]]) Rot_mX_mXY_Z = array([[-1.0, 0.0, 0.0], [-1.0, 1.0, 0.0], [ 0.0, 0.0, 1.0]]) Rot_Y_mXY_mZ = array([[ 0.0, 1.0, 0.0], [-1.0, 1.0, 0.0], [ 0.0, 0.0,-1.0]]) Rot_mZ_X_mY = array([[ 0.0, 0.0,-1.0], [ 1.0, 0.0, 0.0], [ 0.0,-1.0, 0.0]]) Rot_Y_X_Z = array([[ 0.0, 1.0, 0.0], [ 1.0, 0.0, 0.0], [ 0.0, 0.0, 1.0]]) ## 32 unique translation vectors Tr_0_0_34 = array([ 0.0, 0.0, 3.0/4.0 ]) Tr_12_0_34 = array([ 1.0/2.0, 0.0, 3.0/4.0 ]) Tr_0_0_56 = array([ 0.0, 0.0, 5.0/6.0 ]) Tr_12_0_12 = array([ 1.0/2.0, 0.0, 1.0/2.0 ]) Tr_0_12_12 = array([ 0.0, 1.0/2.0, 1.0/2.0 ]) Tr_12_0_14 = array([ 1.0/2.0, 0.0, 1.0/4.0 ]) Tr_0_12_14 = array([ 0.0, 1.0/2.0, 1.0/4.0 ]) Tr_14_14_14 = array([ 1.0/4.0, 1.0/4.0, 1.0/4.0 ]) Tr_0_12_34 = array([ 0.0, 1.0/2.0, 3.0/4.0 ]) Tr_34_14_14 = array([ 3.0/4.0, 1.0/4.0, 1.0/4.0 ]) Tr_0_0_0 = array([ 0.0, 0.0, 0.0 ]) Tr_23_13_56 = array([ 2.0/3.0, 1.0/3.0, 5.0/6.0 ]) Tr_14_14_34 = array([ 1.0/4.0, 1.0/4.0, 3.0/4.0 ]) Tr_12_12_0 = array([ 1.0/2.0, 1.0/2.0, 0.0 ]) Tr_23_13_13 = array([ 2.0/3.0, 1.0/3.0, 1.0/3.0 ]) Tr_13_23_23 = array([ 1.0/3.0, 2.0/3.0, 2.0/3.0 ]) Tr_12_12_12 = array([ 1.0/2.0, 1.0/2.0, 1.0/2.0 ]) Tr_12_12_14 = array([ 1.0/2.0, 1.0/2.0, 1.0/4.0 ]) Tr_14_34_14 = array([ 1.0/4.0, 3.0/4.0, 1.0/4.0 ]) Tr_12_12_34 = array([ 1.0/2.0, 1.0/2.0, 3.0/4.0 ]) Tr_0_0_23 = array([ 0.0, 0.0, 2.0/3.0 ]) Tr_0_12_0 = array([ 0.0, 1.0/2.0, 0.0 ]) Tr_14_34_34 = array([ 1.0/4.0, 3.0/4.0, 3.0/4.0 ]) Tr_34_34_14 = array([ 3.0/4.0, 3.0/4.0, 1.0/4.0 ]) Tr_12_0_0 = array([ 1.0/2.0, 0.0, 0.0 ]) Tr_34_34_34 = array([ 3.0/4.0, 3.0/4.0, 3.0/4.0 ]) Tr_0_0_13 = array([ 0.0, 0.0, 1.0/3.0 ]) Tr_0_0_12 = array([ 0.0, 0.0, 1.0/2.0 ]) Tr_13_23_16 = array([ 1.0/3.0, 2.0/3.0, 1.0/6.0 ]) Tr_0_0_14 = array([ 0.0, 0.0, 1.0/4.0 ]) Tr_0_0_16 = array([ 0.0, 0.0, 1.0/6.0 ]) Tr_34_14_34 = array([ 3.0/4.0, 1.0/4.0, 3.0/4.0 ]) class SymOp(object): """A subclass of the tuple class for performing one symmetry operation. """ def __init__(self, R, t): self.R = R self.t = t def __str__(self): x = "[%6.3f %6.3f %6.3f %6.3f]\n" % ( self.R[0,0], self.R[0,1], self.R[0,2], self.t[0]) x += "[%6.3f %6.3f %6.3f %6.3f]\n" % ( self.R[1,0], self.R[1,1], self.R[1,2], self.t[1]) x += "[%6.3f %6.3f %6.3f %6.3f]\n" % ( self.R[2,0], self.R[2,1], self.R[2,2], self.t[2]) return x def __call__(self, vec): """Return the symmetry operation on argument vector and. """ return matrixmultiply(self.R, vec) + self.t def __eq__(self, symop): return allclose(self.R, symop[0]) and allclose(self.t, symop[1]) def is_identity(self): """Returns True if this SymOp is a identity symmetry operation (no rotation, no translation), otherwise returns False. """ if allclose(self.R, identity(3, Float)) and \ allclose(self.t, zeros(3, Float)): return True class SpaceGroup(object): """Contains the various names and symmetry operations for one space group. """ def __init__(self, number = None, num_sym_equiv = None, num_primitive_sym_equiv = None, short_name = None, point_group_name = None, crystal_system = None, pdb_name = None, symop_list = None): self.number = number self.num_sym_equiv = num_sym_equiv self.num_primitive_sym_equiv = num_primitive_sym_equiv self.short_name = short_name self.point_group_name = point_group_name self.crystal_system = crystal_system self.pdb_name = pdb_name self.symop_list = symop_list def iter_symops(self): """Iterates over all SymOps in the SpaceGroup. """ return iter(self.symop_list) def check_group_name(self, name): """Checks if the given name is a name for this space group, returns True or False. The space group name can be in several forms: the short name, the longer PDB-style name, or the space group number. """ if name == self.short_name: return True if name == self.pdb_name: return True if name == self.point_group_name: return True if name == self.number: return True return False def iter_equivalent_positions(self, vec): """Iterate the symmetry equivelant positions of the argument vector. The vector must already be in fractional coordinates, and the symmetry equivelant vectors are also in fractional coordinates. """ for symop in self.symop_list: yield symop(vec) ## spacegroup definitions sg1 = SpaceGroup( number = 1, num_sym_equiv = 1, num_primitive_sym_equiv = 1, short_name = "P1", point_group_name = "PG1", crystal_system = "TRICLINIC", pdb_name = "P 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0)]) sg2 = SpaceGroup( number = 2, num_sym_equiv = 2, num_primitive_sym_equiv = 2, short_name = "P-1", point_group_name = "PG1bar", crystal_system = "TRICLINIC", pdb_name = "P -1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0)]) sg3 = SpaceGroup( number = 3, num_sym_equiv = 2, num_primitive_sym_equiv = 2, short_name = "P2", point_group_name = "PG2", crystal_system = "MONOCLINIC", pdb_name = "P 1 2 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0)]) sg4 = SpaceGroup( number = 4, num_sym_equiv = 2, num_primitive_sym_equiv = 2, short_name = "P21", point_group_name = "PG2", crystal_system = "MONOCLINIC", pdb_name = "P 1 21 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0)]) sg5 = SpaceGroup( number = 5, num_sym_equiv = 4, num_primitive_sym_equiv = 2, short_name = "C2", point_group_name = "PG2", crystal_system = "MONOCLINIC", pdb_name = "C 1 2 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0)]) sg6 = SpaceGroup( number = 6, num_sym_equiv = 2, num_primitive_sym_equiv = 2, short_name = "Pm", point_group_name = "PGm", crystal_system = "MONOCLINIC", pdb_name = "P 1 m 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0)]) sg7 = SpaceGroup( number = 7, num_sym_equiv = 2, num_primitive_sym_equiv = 2, short_name = "Pc", point_group_name = "PGm", crystal_system = "MONOCLINIC", pdb_name = "P 1 c 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12)]) sg8 = SpaceGroup( number = 8, num_sym_equiv = 4, num_primitive_sym_equiv = 2, short_name = "Cm", point_group_name = "PGm", crystal_system = "MONOCLINIC", pdb_name = "C 1 m 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_0)]) sg9 = SpaceGroup( number = 9, num_sym_equiv = 4, num_primitive_sym_equiv = 2, short_name = "Cc", point_group_name = "PGm", crystal_system = "MONOCLINIC", pdb_name = "C 1 c 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_12)]) sg10 = SpaceGroup( number = 10, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P2/m", point_group_name = "PG2/m", crystal_system = "MONOCLINIC", pdb_name = "P 1 2/m 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0)]) sg11 = SpaceGroup( number = 11, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P21/m", point_group_name = "PG2/m", crystal_system = "MONOCLINIC", pdb_name = "P 1 21/m 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_12_0)]) sg12 = SpaceGroup( number = 12, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "C2/m", point_group_name = "PG2/m", crystal_system = "MONOCLINIC", pdb_name = "C 1 2/m 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0)]) sg13 = SpaceGroup( number = 13, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P2/c", point_group_name = "PG2/m", crystal_system = "MONOCLINIC", pdb_name = "P 1 2/c 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12)]) sg14 = SpaceGroup( number = 14, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P21/c", point_group_name = "PG2/m", crystal_system = "MONOCLINIC", pdb_name = "P 1 21/c 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_0_12_12)]) sg15 = SpaceGroup( number = 15, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "C2/c", point_group_name = "PG2/m", crystal_system = "MONOCLINIC", pdb_name = "C 1 2/c 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_12)]) sg16 = SpaceGroup( number = 16, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P222", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "P 2 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0)]) sg17 = SpaceGroup( number = 17, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P2221", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "P 2 2 21", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_0_0_0)]) sg18 = SpaceGroup( number = 18, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P21212", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21 21 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0)]) sg19 = SpaceGroup( number = 19, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P212121", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21 21 21", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0)]) sg20 = SpaceGroup( number = 20, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "C2221", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "C 2 2 21", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0)]) sg21 = SpaceGroup( number = 21, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "C222", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "C 2 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0)]) sg22 = SpaceGroup( number = 22, num_sym_equiv = 16, num_primitive_sym_equiv = 4, short_name = "F222", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "F 2 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0)]) sg23 = SpaceGroup( number = 23, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "I222", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "I 2 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12)]) sg24 = SpaceGroup( number = 24, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "I212121", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "I 21 21 21", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_12)]) sg25 = SpaceGroup( number = 25, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "Pmm2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "P m m 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0)]) sg26 = SpaceGroup( number = 26, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "Pmc21", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "P m c 21", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_0)]) sg27 = SpaceGroup( number = 27, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "Pcc2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "P c c 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12)]) sg28 = SpaceGroup( number = 28, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "Pma2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "P m a 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_0_0), SymOp(Rot_mX_Y_Z, Tr_12_0_0)]) sg29 = SpaceGroup( number = 29, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "Pca21", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "P c a 21", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_X_mY_Z, Tr_12_0_0), SymOp(Rot_mX_Y_Z, Tr_12_0_12)]) sg30 = SpaceGroup( number = 30, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "Pnc2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "P n c 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_0_12_12)]) sg31 = SpaceGroup( number = 31, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "Pmn21", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "P m n 21", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_0)]) sg32 = SpaceGroup( number = 32, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "Pba2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "P b a 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg33 = SpaceGroup( number = 33, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "Pna21", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "P n a 21", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) sg34 = SpaceGroup( number = 34, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "Pnn2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "P n n 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) sg35 = SpaceGroup( number = 35, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "Cmm2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "C m m 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg36 = SpaceGroup( number = 36, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "Cmc21", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "C m c 21", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg37 = SpaceGroup( number = 37, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "Ccc2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "C c c 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) sg38 = SpaceGroup( number = 38, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "Amm2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "A m m 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_0_12_12)]) sg39 = SpaceGroup( number = 39, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "Abm2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "A b m 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_Z, Tr_0_12_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12)]) sg40 = SpaceGroup( number = 40, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "Ama2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "A m a 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_0_0), SymOp(Rot_mX_Y_Z, Tr_12_0_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) sg41 = SpaceGroup( number = 41, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "Aba2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "A b a 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_Z, Tr_12_0_12)]) sg42 = SpaceGroup( number = 42, num_sym_equiv = 16, num_primitive_sym_equiv = 4, short_name = "Fmm2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "F m m 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_0_12_12), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_Z, Tr_12_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg43 = SpaceGroup( number = 43, num_sym_equiv = 16, num_primitive_sym_equiv = 4, short_name = "Fdd2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "F d d 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_14_14_14), SymOp(Rot_mX_Y_Z, Tr_14_14_14), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_14_34_34), SymOp(Rot_mX_Y_Z, Tr_14_34_34), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_34_14_34), SymOp(Rot_mX_Y_Z, Tr_34_14_34), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_34_34_14), SymOp(Rot_mX_Y_Z, Tr_34_34_14)]) sg44 = SpaceGroup( number = 44, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "Imm2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "I m m 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) sg45 = SpaceGroup( number = 45, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "Iba2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "I b a 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12)]) sg46 = SpaceGroup( number = 46, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "Ima2", point_group_name = "PGmm2", crystal_system = "ORTHORHOMBIC", pdb_name = "I m a 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_0_0), SymOp(Rot_mX_Y_Z, Tr_12_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_0_12_12)]) sg47 = SpaceGroup( number = 47, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pmmm", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 2/m 2/m 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0)]) sg48 = SpaceGroup( number = 48, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pnnn", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 2/n 2/n 2/n", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) sg49 = SpaceGroup( number = 49, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pccm", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 2/c 2/c 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12)]) sg50 = SpaceGroup( number = 50, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pban", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 2/b 2/a 2/n", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg51 = SpaceGroup( number = 51, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pmma", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21/m 2/m 2/a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_12_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_12_0_0)]) sg52 = SpaceGroup( number = 52, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pnna", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 2/n 21/n 2/a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_0_12_12)]) sg53 = SpaceGroup( number = 53, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pmna", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 2/m 2/n 21/a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_0)]) sg54 = SpaceGroup( number = 54, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pcca", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21/c 2/c 2/a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_12_0_12)]) sg55 = SpaceGroup( number = 55, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pbam", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21/b 21/a 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg56 = SpaceGroup( number = 56, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pccn", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21/c 21/c 2/n", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_12_0_12)]) sg57 = SpaceGroup( number = 57, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pbcm", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 2/b 21/c 21/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_0_12_0)]) sg58 = SpaceGroup( number = 58, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pnnm", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21/n 21/n 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) sg59 = SpaceGroup( number = 59, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pmmn", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21/m 21/m 2/n", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0)]) sg60 = SpaceGroup( number = 60, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pbcn", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21/b 2/c 21/n", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg61 = SpaceGroup( number = 61, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pbca", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21/b 21/c 21/a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg62 = SpaceGroup( number = 62, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pnma", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21/n 21/m 21/a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) sg63 = SpaceGroup( number = 63, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "Cmcm", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "C 2/m 2/c 21/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg64 = SpaceGroup( number = 64, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "Cmca", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "C 2/m 2/c 21/a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg65 = SpaceGroup( number = 65, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "Cmmm", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "C 2/m 2/m 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg66 = SpaceGroup( number = 66, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "Cccm", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "C 2/c 2/c 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) sg67 = SpaceGroup( number = 67, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "Cmma", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "C 2/m 2/m 2/a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_12_0), SymOp(Rot_X_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_0_0), SymOp(Rot_X_mY_Z, Tr_12_0_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg68 = SpaceGroup( number = 68, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "Ccca", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "C 2/c 2/c 2/a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_0_12_12), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_12_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_12_0_12), SymOp(Rot_X_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_Z, Tr_0_12_12)]) sg69 = SpaceGroup( number = 69, num_sym_equiv = 32, num_primitive_sym_equiv = 8, short_name = "Fmmm", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "F 2/m 2/m 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_mX_mY_mZ, Tr_0_12_12), SymOp(Rot_X_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_0_12_12), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_mX_mY_mZ, Tr_12_0_12), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_Z, Tr_12_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0)]) sg70 = SpaceGroup( number = 70, num_sym_equiv = 32, num_primitive_sym_equiv = 8, short_name = "Fddd", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "F 2/d 2/d 2/d", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_14_14_14), SymOp(Rot_X_Y_mZ, Tr_14_14_14), SymOp(Rot_X_mY_Z, Tr_14_14_14), SymOp(Rot_mX_Y_Z, Tr_14_14_14), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_mX_mY_mZ, Tr_14_34_34), SymOp(Rot_X_Y_mZ, Tr_14_34_34), SymOp(Rot_X_mY_Z, Tr_14_34_34), SymOp(Rot_mX_Y_Z, Tr_14_34_34), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_mX_mY_mZ, Tr_34_14_34), SymOp(Rot_X_Y_mZ, Tr_34_14_34), SymOp(Rot_X_mY_Z, Tr_34_14_34), SymOp(Rot_mX_Y_Z, Tr_34_14_34), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_34_34_14), SymOp(Rot_X_Y_mZ, Tr_34_34_14), SymOp(Rot_X_mY_Z, Tr_34_34_14), SymOp(Rot_mX_Y_Z, Tr_34_34_14)]) sg71 = SpaceGroup( number = 71, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "Immm", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "I 2/m 2/m 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) sg72 = SpaceGroup( number = 72, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "Ibam", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "I 2/b 2/a 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12)]) sg73 = SpaceGroup( number = 73, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "Ibca", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "I 21/b 21/c 21/a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_0_12_0), SymOp(Rot_X_mY_Z, Tr_12_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_12)]) sg74 = SpaceGroup( number = 74, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "Imma", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "I 21/m 21/m 21/a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_12_0), SymOp(Rot_X_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12)]) sg75 = SpaceGroup( number = 75, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P4", point_group_name = "PG4", crystal_system = "TETRAGONAL", pdb_name = "P 4", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0)]) sg76 = SpaceGroup( number = 76, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P41", point_group_name = "PG4", crystal_system = "TETRAGONAL", pdb_name = "P 41", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_mY_X_Z, Tr_0_0_14), SymOp(Rot_Y_mX_Z, Tr_0_0_34)]) sg77 = SpaceGroup( number = 77, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P42", point_group_name = "PG4", crystal_system = "TETRAGONAL", pdb_name = "P 42", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_12), SymOp(Rot_Y_mX_Z, Tr_0_0_12)]) sg78 = SpaceGroup( number = 78, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P43", point_group_name = "PG4", crystal_system = "TETRAGONAL", pdb_name = "P 43", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_mY_X_Z, Tr_0_0_34), SymOp(Rot_Y_mX_Z, Tr_0_0_14)]) sg79 = SpaceGroup( number = 79, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "I4", point_group_name = "PG4", crystal_system = "TETRAGONAL", pdb_name = "I 4", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12)]) sg80 = SpaceGroup( number = 80, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "I41", point_group_name = "PG4", crystal_system = "TETRAGONAL", pdb_name = "I 41", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_0_12_14), SymOp(Rot_Y_mX_Z, Tr_12_0_34), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_0_34), SymOp(Rot_Y_mX_Z, Tr_0_12_14)]) sg81 = SpaceGroup( number = 81, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P-4", point_group_name = "PG4bar", crystal_system = "TETRAGONAL", pdb_name = "P -4", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0)]) sg82 = SpaceGroup( number = 82, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "I-4", point_group_name = "PG4bar", crystal_system = "TETRAGONAL", pdb_name = "I -4", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12)]) sg83 = SpaceGroup( number = 83, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P4/m", point_group_name = "PG4/m", crystal_system = "TETRAGONAL", pdb_name = "P 4/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0)]) sg84 = SpaceGroup( number = 84, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P42/m", point_group_name = "PG4/m", crystal_system = "TETRAGONAL", pdb_name = "P 42/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_12), SymOp(Rot_Y_mX_Z, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_12), SymOp(Rot_mY_X_mZ, Tr_0_0_12)]) sg85 = SpaceGroup( number = 85, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P4/n", point_group_name = "PG4/m", crystal_system = "TETRAGONAL", pdb_name = "P 4/n", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_12_0), SymOp(Rot_Y_mX_Z, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0)]) sg86 = SpaceGroup( number = 86, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P42/n", point_group_name = "PG4/m", crystal_system = "TETRAGONAL", pdb_name = "P 42/n", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0)]) sg87 = SpaceGroup( number = 87, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "I4/m", point_group_name = "PG4/m", crystal_system = "TETRAGONAL", pdb_name = "I 4/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12)]) sg88 = SpaceGroup( number = 88, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "I41/a", point_group_name = "PG4/m", crystal_system = "TETRAGONAL", pdb_name = "I 41/a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_0_12_14), SymOp(Rot_Y_mX_Z, Tr_12_0_34), SymOp(Rot_mX_mY_mZ, Tr_0_12_14), SymOp(Rot_X_Y_mZ, Tr_12_0_34), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_0_34), SymOp(Rot_Y_mX_Z, Tr_0_12_14), SymOp(Rot_mX_mY_mZ, Tr_12_0_34), SymOp(Rot_X_Y_mZ, Tr_0_12_14), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_0_0_0)]) sg89 = SpaceGroup( number = 89, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P422", point_group_name = "PG422", crystal_system = "TETRAGONAL", pdb_name = "P 4 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0)]) sg90 = SpaceGroup( number = 90, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P4212", point_group_name = "PG422", crystal_system = "TETRAGONAL", pdb_name = "P 4 21 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_12_0), SymOp(Rot_Y_mX_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0)]) sg91 = SpaceGroup( number = 91, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P4122", point_group_name = "PG422", crystal_system = "TETRAGONAL", pdb_name = "P 41 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_mY_X_Z, Tr_0_0_14), SymOp(Rot_Y_mX_Z, Tr_0_0_34), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_Y_X_mZ, Tr_0_0_34), SymOp(Rot_mY_mX_mZ, Tr_0_0_14)]) sg92 = SpaceGroup( number = 92, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P41212", point_group_name = "PG422", crystal_system = "TETRAGONAL", pdb_name = "P 41 21 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_mY_X_Z, Tr_12_12_14), SymOp(Rot_Y_mX_Z, Tr_12_12_34), SymOp(Rot_mX_Y_mZ, Tr_12_12_14), SymOp(Rot_X_mY_mZ, Tr_12_12_34), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_12)]) sg93 = SpaceGroup( number = 93, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P4222", point_group_name = "PG422", crystal_system = "TETRAGONAL", pdb_name = "P 42 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_12), SymOp(Rot_Y_mX_Z, Tr_0_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_12)]) sg94 = SpaceGroup( number = 94, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P42212", point_group_name = "PG422", crystal_system = "TETRAGONAL", pdb_name = "P 42 21 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0)]) sg95 = SpaceGroup( number = 95, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P4322", point_group_name = "PG422", crystal_system = "TETRAGONAL", pdb_name = "P 43 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_mY_X_Z, Tr_0_0_34), SymOp(Rot_Y_mX_Z, Tr_0_0_14), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_Y_X_mZ, Tr_0_0_14), SymOp(Rot_mY_mX_mZ, Tr_0_0_34)]) sg96 = SpaceGroup( number = 96, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P43212", point_group_name = "PG422", crystal_system = "TETRAGONAL", pdb_name = "P 43 21 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_mY_X_Z, Tr_12_12_34), SymOp(Rot_Y_mX_Z, Tr_12_12_14), SymOp(Rot_mX_Y_mZ, Tr_12_12_34), SymOp(Rot_X_mY_mZ, Tr_12_12_14), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_12)]) sg97 = SpaceGroup( number = 97, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "I422", point_group_name = "PG422", crystal_system = "TETRAGONAL", pdb_name = "I 4 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12)]) sg98 = SpaceGroup( number = 98, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "I4122", point_group_name = "PG422", crystal_system = "TETRAGONAL", pdb_name = "I 41 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_0_12_14), SymOp(Rot_Y_mX_Z, Tr_12_0_34), SymOp(Rot_mX_Y_mZ, Tr_12_0_34), SymOp(Rot_X_mY_mZ, Tr_0_12_14), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_0_34), SymOp(Rot_Y_mX_Z, Tr_0_12_14), SymOp(Rot_mX_Y_mZ, Tr_0_12_14), SymOp(Rot_X_mY_mZ, Tr_12_0_34), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_12_12_12)]) sg99 = SpaceGroup( number = 99, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P4mm", point_group_name = "PG4mm", crystal_system = "TETRAGONAL", pdb_name = "P 4 m m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0)]) sg100 = SpaceGroup( number = 100, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P4bm", point_group_name = "PG4mm", crystal_system = "TETRAGONAL", pdb_name = "P 4 b m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_12_12_0), SymOp(Rot_Y_X_Z, Tr_12_12_0)]) sg101 = SpaceGroup( number = 101, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P42cm", point_group_name = "PG4mm", crystal_system = "TETRAGONAL", pdb_name = "P 42 c m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_12), SymOp(Rot_Y_mX_Z, Tr_0_0_12), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0)]) sg102 = SpaceGroup( number = 102, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P42nm", point_group_name = "PG4mm", crystal_system = "TETRAGONAL", pdb_name = "P 42 n m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0)]) sg103 = SpaceGroup( number = 103, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P4cc", point_group_name = "PG4mm", crystal_system = "TETRAGONAL", pdb_name = "P 4 c c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_12)]) sg104 = SpaceGroup( number = 104, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P4nc", point_group_name = "PG4mm", crystal_system = "TETRAGONAL", pdb_name = "P 4 n c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12)]) sg105 = SpaceGroup( number = 105, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P42mc", point_group_name = "PG4mm", crystal_system = "TETRAGONAL", pdb_name = "P 42 m c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_12), SymOp(Rot_Y_mX_Z, Tr_0_0_12), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_12)]) sg106 = SpaceGroup( number = 106, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P42bc", point_group_name = "PG4mm", crystal_system = "TETRAGONAL", pdb_name = "P 42 b c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_12), SymOp(Rot_Y_mX_Z, Tr_0_0_12), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12)]) sg107 = SpaceGroup( number = 107, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "I4mm", point_group_name = "PG4mm", crystal_system = "TETRAGONAL", pdb_name = "I 4 m m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12)]) sg108 = SpaceGroup( number = 108, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "I4cm", point_group_name = "PG4mm", crystal_system = "TETRAGONAL", pdb_name = "I 4 c m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_12_12_0), SymOp(Rot_Y_X_Z, Tr_12_12_0)]) sg109 = SpaceGroup( number = 109, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "I41md", point_group_name = "PG4mm", crystal_system = "TETRAGONAL", pdb_name = "I 41 m d", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_0_12_14), SymOp(Rot_Y_mX_Z, Tr_12_0_34), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_0_12_14), SymOp(Rot_Y_X_Z, Tr_12_0_34), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_0_34), SymOp(Rot_Y_mX_Z, Tr_0_12_14), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_12_0_34), SymOp(Rot_Y_X_Z, Tr_0_12_14)]) sg110 = SpaceGroup( number = 110, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "I41cd", point_group_name = "PG4mm", crystal_system = "TETRAGONAL", pdb_name = "I 41 c d", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_0_12_14), SymOp(Rot_Y_mX_Z, Tr_12_0_34), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_0_12_34), SymOp(Rot_Y_X_Z, Tr_12_0_14), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_0_34), SymOp(Rot_Y_mX_Z, Tr_0_12_14), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_12_0_14), SymOp(Rot_Y_X_Z, Tr_0_12_34)]) sg111 = SpaceGroup( number = 111, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P-42m", point_group_name = "PG4bar2m", crystal_system = "TETRAGONAL", pdb_name = "P -4 2 m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0)]) sg112 = SpaceGroup( number = 112, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P-42c", point_group_name = "PG4bar2m", crystal_system = "TETRAGONAL", pdb_name = "P -4 2 c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_12)]) sg113 = SpaceGroup( number = 113, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P-421m", point_group_name = "PG4bar2m", crystal_system = "TETRAGONAL", pdb_name = "P -4 21 m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_12_12_0), SymOp(Rot_Y_X_Z, Tr_12_12_0)]) sg114 = SpaceGroup( number = 114, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P-421c", point_group_name = "PG4bar2m", crystal_system = "TETRAGONAL", pdb_name = "P -4 21 c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12)]) sg115 = SpaceGroup( number = 115, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P-4m2", point_group_name = "PG4barm2", crystal_system = "TETRAGONAL", pdb_name = "P -4 m 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0)]) sg116 = SpaceGroup( number = 116, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P-4c2", point_group_name = "PG4barm2", crystal_system = "TETRAGONAL", pdb_name = "P -4 c 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_12)]) sg117 = SpaceGroup( number = 117, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P-4b2", point_group_name = "PG4barm2", crystal_system = "TETRAGONAL", pdb_name = "P -4 b 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_12_12_0), SymOp(Rot_mY_mX_mZ, Tr_12_12_0)]) sg118 = SpaceGroup( number = 118, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P-4n2", point_group_name = "PG4barm2", crystal_system = "TETRAGONAL", pdb_name = "P -4 n 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12)]) sg119 = SpaceGroup( number = 119, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "I-4m2", point_group_name = "PG4barm2", crystal_system = "TETRAGONAL", pdb_name = "I -4 m 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12)]) sg120 = SpaceGroup( number = 120, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "I-4c2", point_group_name = "PG4barm2", crystal_system = "TETRAGONAL", pdb_name = "I -4 c 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_12_12_0), SymOp(Rot_mY_mX_mZ, Tr_12_12_0)]) sg121 = SpaceGroup( number = 121, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "I-42m", point_group_name = "PG4bar2m", crystal_system = "TETRAGONAL", pdb_name = "I -4 2 m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12)]) sg122 = SpaceGroup( number = 122, num_sym_equiv = 16, num_primitive_sym_equiv = 8, short_name = "I-42d", point_group_name = "PG4bar2m", crystal_system = "TETRAGONAL", pdb_name = "I -4 2 d", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_34), SymOp(Rot_X_mY_mZ, Tr_12_0_34), SymOp(Rot_mY_mX_Z, Tr_12_0_34), SymOp(Rot_Y_X_Z, Tr_12_0_34), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_14), SymOp(Rot_X_mY_mZ, Tr_0_12_14), SymOp(Rot_mY_mX_Z, Tr_0_12_14), SymOp(Rot_Y_X_Z, Tr_0_12_14)]) sg123 = SpaceGroup( number = 123, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P4/mmm", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 4/m 2/m 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0)]) sg124 = SpaceGroup( number = 124, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P4/mcc", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 4/m 2/c 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_12)]) sg125 = SpaceGroup( number = 125, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P4/nbm", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 4/n 2/b 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_Y_mX_mZ, Tr_12_12_0), SymOp(Rot_mY_X_mZ, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_12_12_0), SymOp(Rot_Y_X_Z, Tr_12_12_0)]) sg126 = SpaceGroup( number = 126, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P4/nnc", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 4/n 2/n 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12)]) sg127 = SpaceGroup( number = 127, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P4/mbm", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 4/m 21/b 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_12_12_0), SymOp(Rot_mY_mX_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_12_12_0), SymOp(Rot_Y_X_Z, Tr_12_12_0)]) sg128 = SpaceGroup( number = 128, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P4/mnc", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 4/m 21/n 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12)]) sg129 = SpaceGroup( number = 129, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P4/nmm", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 4/n 21/m 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_12_0), SymOp(Rot_Y_mX_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_12_12_0), SymOp(Rot_Y_X_Z, Tr_12_12_0)]) sg130 = SpaceGroup( number = 130, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P4/ncc", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 4/n 2/c 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_12_0), SymOp(Rot_Y_mX_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12)]) sg131 = SpaceGroup( number = 131, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P42/mmc", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 42/m 2/m 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_12), SymOp(Rot_Y_mX_Z, Tr_0_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_12), SymOp(Rot_mY_X_mZ, Tr_0_0_12), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_12)]) sg132 = SpaceGroup( number = 132, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P42/mcm", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 42/m 2/c 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_12), SymOp(Rot_Y_mX_Z, Tr_0_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_12), SymOp(Rot_mY_X_mZ, Tr_0_0_12), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0)]) sg133 = SpaceGroup( number = 133, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P42/nbc", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 42/n 2/b 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_Y_X_mZ, Tr_12_12_0), SymOp(Rot_mY_mX_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_12)]) sg134 = SpaceGroup( number = 134, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P42/nnm", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 42/n 2/n 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0)]) sg135 = SpaceGroup( number = 135, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P42/mbc", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 42/m 21/b 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_12), SymOp(Rot_Y_mX_Z, Tr_0_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_12), SymOp(Rot_mY_X_mZ, Tr_0_0_12), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12)]) sg136 = SpaceGroup( number = 136, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P42/mnm", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 42/m 21/n 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0)]) sg137 = SpaceGroup( number = 137, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P42/nmc", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 42/n 21/m 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12)]) sg138 = SpaceGroup( number = 138, num_sym_equiv = 16, num_primitive_sym_equiv = 16, short_name = "P42/ncm", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "P 42/n 21/c 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_12_12_0), SymOp(Rot_Y_X_Z, Tr_12_12_0)]) sg139 = SpaceGroup( number = 139, num_sym_equiv = 32, num_primitive_sym_equiv = 16, short_name = "I4/mmm", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "I 4/m 2/m 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12)]) sg140 = SpaceGroup( number = 140, num_sym_equiv = 32, num_primitive_sym_equiv = 16, short_name = "I4/mcm", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "I 4/m 2/c 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_12_12_0), SymOp(Rot_mY_mX_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_12_12_0), SymOp(Rot_Y_X_Z, Tr_12_12_0)]) sg141 = SpaceGroup( number = 141, num_sym_equiv = 32, num_primitive_sym_equiv = 16, short_name = "I41/amd", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "I 41/a 2/m 2/d", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_0_12_14), SymOp(Rot_Y_mX_Z, Tr_12_0_34), SymOp(Rot_mX_Y_mZ, Tr_12_0_34), SymOp(Rot_X_mY_mZ, Tr_0_12_14), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_12_14), SymOp(Rot_X_Y_mZ, Tr_12_0_34), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_12_0_34), SymOp(Rot_Y_X_Z, Tr_0_12_14), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_0_34), SymOp(Rot_Y_mX_Z, Tr_0_12_14), SymOp(Rot_mX_Y_mZ, Tr_0_12_14), SymOp(Rot_X_mY_mZ, Tr_12_0_34), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_0_34), SymOp(Rot_X_Y_mZ, Tr_0_12_14), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_0_12_14), SymOp(Rot_Y_X_Z, Tr_12_0_34)]) sg142 = SpaceGroup( number = 142, num_sym_equiv = 32, num_primitive_sym_equiv = 16, short_name = "I41/acd", point_group_name = "PG4/mmm", crystal_system = "TETRAGONAL", pdb_name = "I 41/a 2/c 2/d", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_0_12_14), SymOp(Rot_Y_mX_Z, Tr_12_0_34), SymOp(Rot_mX_Y_mZ, Tr_12_0_14), SymOp(Rot_X_mY_mZ, Tr_0_12_34), SymOp(Rot_Y_X_mZ, Tr_12_12_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_12_14), SymOp(Rot_X_Y_mZ, Tr_12_0_34), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_12_0_14), SymOp(Rot_Y_X_Z, Tr_0_12_34), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_12_0_34), SymOp(Rot_Y_mX_Z, Tr_0_12_14), SymOp(Rot_mX_Y_mZ, Tr_0_12_34), SymOp(Rot_X_mY_mZ, Tr_12_0_14), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_0_34), SymOp(Rot_X_Y_mZ, Tr_0_12_14), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_0_12_34), SymOp(Rot_Y_X_Z, Tr_12_0_14)]) sg143 = SpaceGroup( number = 143, num_sym_equiv = 3, num_primitive_sym_equiv = 3, short_name = "P3", point_group_name = "PG3", crystal_system = "TRIGONAL", pdb_name = "P 3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0)]) sg144 = SpaceGroup( number = 144, num_sym_equiv = 3, num_primitive_sym_equiv = 3, short_name = "P31", point_group_name = "PG3", crystal_system = "TRIGONAL", pdb_name = "P 31", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_13), SymOp(Rot_mXY_mX_Z, Tr_0_0_23)]) sg145 = SpaceGroup( number = 145, num_sym_equiv = 3, num_primitive_sym_equiv = 3, short_name = "P32", point_group_name = "PG3", crystal_system = "TRIGONAL", pdb_name = "P 32", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_23), SymOp(Rot_mXY_mX_Z, Tr_0_0_13)]) sg146 = SpaceGroup( number = 146, num_sym_equiv = 9, num_primitive_sym_equiv = 3, short_name = "H3", point_group_name = "PG3", crystal_system = "TRIGONAL", pdb_name = "H 3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_23_13_13), SymOp(Rot_mY_XmY_Z, Tr_23_13_13), SymOp(Rot_mXY_mX_Z, Tr_23_13_13), SymOp(Rot_X_Y_Z, Tr_13_23_23), SymOp(Rot_mY_XmY_Z, Tr_13_23_23), SymOp(Rot_mXY_mX_Z, Tr_13_23_23)]) sg1146 = SpaceGroup( number = 1146, num_sym_equiv = 3, num_primitive_sym_equiv = 3, short_name = "R3", point_group_name = "PG3", crystal_system = "TRIGONAL", pdb_name = "R 3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0)]) sg147 = SpaceGroup( number = 147, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P-3", point_group_name = "PG3bar", crystal_system = "TRIGONAL", pdb_name = "P -3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0)]) sg148 = SpaceGroup( number = 148, num_sym_equiv = 18, num_primitive_sym_equiv = 6, short_name = "H-3", point_group_name = "PG3bar", crystal_system = "TRIGONAL", pdb_name = "H -3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_23_13_13), SymOp(Rot_mY_XmY_Z, Tr_23_13_13), SymOp(Rot_mXY_mX_Z, Tr_23_13_13), SymOp(Rot_mX_mY_mZ, Tr_23_13_13), SymOp(Rot_Y_mXY_mZ, Tr_23_13_13), SymOp(Rot_XmY_X_mZ, Tr_23_13_13), SymOp(Rot_X_Y_Z, Tr_13_23_23), SymOp(Rot_mY_XmY_Z, Tr_13_23_23), SymOp(Rot_mXY_mX_Z, Tr_13_23_23), SymOp(Rot_mX_mY_mZ, Tr_13_23_23), SymOp(Rot_Y_mXY_mZ, Tr_13_23_23), SymOp(Rot_XmY_X_mZ, Tr_13_23_23)]) sg1148 = SpaceGroup( number = 1148, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "R-3", point_group_name = "PG3bar", crystal_system = "TRIGONAL", pdb_name = "R -3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mY_mZ_mX, Tr_0_0_0)]) sg149 = SpaceGroup( number = 149, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P312", point_group_name = "PG312", crystal_system = "TRIGONAL", pdb_name = "P 3 1 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mXY_Y_mZ, Tr_0_0_0), SymOp(Rot_X_XmY_mZ, Tr_0_0_0)]) sg150 = SpaceGroup( number = 150, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P321", point_group_name = "PG321", crystal_system = "TRIGONAL", pdb_name = "P 3 2 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_0)]) sg151 = SpaceGroup( number = 151, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P3112", point_group_name = "PG312", crystal_system = "TRIGONAL", pdb_name = "P 31 1 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_13), SymOp(Rot_mXY_mX_Z, Tr_0_0_23), SymOp(Rot_mY_mX_mZ, Tr_0_0_23), SymOp(Rot_mXY_Y_mZ, Tr_0_0_13), SymOp(Rot_X_XmY_mZ, Tr_0_0_0)]) sg152 = SpaceGroup( number = 152, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P3121", point_group_name = "PG321", crystal_system = "TRIGONAL", pdb_name = "P 31 2 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_13), SymOp(Rot_mXY_mX_Z, Tr_0_0_23), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_XmY_mY_mZ, Tr_0_0_23), SymOp(Rot_mX_mXY_mZ, Tr_0_0_13)]) sg153 = SpaceGroup( number = 153, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P3212", point_group_name = "PG312", crystal_system = "TRIGONAL", pdb_name = "P 32 1 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_23), SymOp(Rot_mXY_mX_Z, Tr_0_0_13), SymOp(Rot_mY_mX_mZ, Tr_0_0_13), SymOp(Rot_mXY_Y_mZ, Tr_0_0_23), SymOp(Rot_X_XmY_mZ, Tr_0_0_0)]) sg154 = SpaceGroup( number = 154, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P3221", point_group_name = "PG321", crystal_system = "TRIGONAL", pdb_name = "P 32 2 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_23), SymOp(Rot_mXY_mX_Z, Tr_0_0_13), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_XmY_mY_mZ, Tr_0_0_13), SymOp(Rot_mX_mXY_mZ, Tr_0_0_23)]) sg155 = SpaceGroup( number = 155, num_sym_equiv = 18, num_primitive_sym_equiv = 6, short_name = "H32", point_group_name = "PG321", crystal_system = "TRIGONAL", pdb_name = "H 3 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_23_13_13), SymOp(Rot_mY_XmY_Z, Tr_23_13_13), SymOp(Rot_mXY_mX_Z, Tr_23_13_13), SymOp(Rot_Y_X_mZ, Tr_23_13_13), SymOp(Rot_XmY_mY_mZ, Tr_23_13_13), SymOp(Rot_mX_mXY_mZ, Tr_23_13_13), SymOp(Rot_X_Y_Z, Tr_13_23_23), SymOp(Rot_mY_XmY_Z, Tr_13_23_23), SymOp(Rot_mXY_mX_Z, Tr_13_23_23), SymOp(Rot_Y_X_mZ, Tr_13_23_23), SymOp(Rot_XmY_mY_mZ, Tr_13_23_23), SymOp(Rot_mX_mXY_mZ, Tr_13_23_23)]) sg1155 = SpaceGroup( number = 1155, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "R32", point_group_name = "PG32", crystal_system = "TRIGONAL", pdb_name = "R 3 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mZ_mY, Tr_0_0_0), SymOp(Rot_mZ_mY_mX, Tr_0_0_0)]) sg156 = SpaceGroup( number = 156, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P3m1", point_group_name = "PG3m1", crystal_system = "TRIGONAL", pdb_name = "P 3 m 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_mXY_Y_Z, Tr_0_0_0), SymOp(Rot_X_XmY_Z, Tr_0_0_0)]) sg157 = SpaceGroup( number = 157, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P31m", point_group_name = "PG31m", crystal_system = "TRIGONAL", pdb_name = "P 3 1 m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_XmY_mY_Z, Tr_0_0_0), SymOp(Rot_mX_mXY_Z, Tr_0_0_0)]) sg158 = SpaceGroup( number = 158, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P3c1", point_group_name = "PG3m1", crystal_system = "TRIGONAL", pdb_name = "P 3 c 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_mXY_Y_Z, Tr_0_0_12), SymOp(Rot_X_XmY_Z, Tr_0_0_12)]) sg159 = SpaceGroup( number = 159, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P31c", point_group_name = "PG31m", crystal_system = "TRIGONAL", pdb_name = "P 3 1 c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_12), SymOp(Rot_XmY_mY_Z, Tr_0_0_12), SymOp(Rot_mX_mXY_Z, Tr_0_0_12)]) sg160 = SpaceGroup( number = 160, num_sym_equiv = 18, num_primitive_sym_equiv = 6, short_name = "H3m", point_group_name = "PG3m", crystal_system = "TRIGONAL", pdb_name = "H 3 m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_mXY_Y_Z, Tr_0_0_0), SymOp(Rot_X_XmY_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_23_13_13), SymOp(Rot_mY_XmY_Z, Tr_23_13_13), SymOp(Rot_mXY_mX_Z, Tr_23_13_13), SymOp(Rot_mY_mX_Z, Tr_23_13_13), SymOp(Rot_mXY_Y_Z, Tr_23_13_13), SymOp(Rot_X_XmY_Z, Tr_23_13_13), SymOp(Rot_X_Y_Z, Tr_13_23_23), SymOp(Rot_mY_XmY_Z, Tr_13_23_23), SymOp(Rot_mXY_mX_Z, Tr_13_23_23), SymOp(Rot_mY_mX_Z, Tr_13_23_23), SymOp(Rot_mXY_Y_Z, Tr_13_23_23), SymOp(Rot_X_XmY_Z, Tr_13_23_23)]) sg1160 = SpaceGroup( number = 1160, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "R3m", point_group_name = "PG3m", crystal_system = "TRIGONAL", pdb_name = "R 3 m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_X_Z_Y, Tr_0_0_0), SymOp(Rot_Z_Y_X, Tr_0_0_0)]) sg161 = SpaceGroup( number = 161, num_sym_equiv = 18, num_primitive_sym_equiv = 6, short_name = "H3c", point_group_name = "PG3m", crystal_system = "TRIGONAL", pdb_name = "H 3 c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_mXY_Y_Z, Tr_0_0_12), SymOp(Rot_X_XmY_Z, Tr_0_0_12), SymOp(Rot_X_Y_Z, Tr_23_13_13), SymOp(Rot_mY_XmY_Z, Tr_23_13_13), SymOp(Rot_mXY_mX_Z, Tr_23_13_13), SymOp(Rot_mY_mX_Z, Tr_23_13_56), SymOp(Rot_mXY_Y_Z, Tr_23_13_56), SymOp(Rot_X_XmY_Z, Tr_23_13_56), SymOp(Rot_X_Y_Z, Tr_13_23_23), SymOp(Rot_mY_XmY_Z, Tr_13_23_23), SymOp(Rot_mXY_mX_Z, Tr_13_23_23), SymOp(Rot_mY_mX_Z, Tr_13_23_16), SymOp(Rot_mXY_Y_Z, Tr_13_23_16), SymOp(Rot_X_XmY_Z, Tr_13_23_16)]) sg1161 = SpaceGroup( number = 1161, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "R3c", point_group_name = "PG3m", crystal_system = "TRIGONAL", pdb_name = "R 3 c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_12_12_12), SymOp(Rot_X_Z_Y, Tr_12_12_12), SymOp(Rot_Z_Y_X, Tr_12_12_12)]) sg162 = SpaceGroup( number = 162, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P-31m", point_group_name = "PG3bar1m", crystal_system = "TRIGONAL", pdb_name = "P -3 1 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mXY_Y_mZ, Tr_0_0_0), SymOp(Rot_X_XmY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_XmY_mY_Z, Tr_0_0_0), SymOp(Rot_mX_mXY_Z, Tr_0_0_0)]) sg163 = SpaceGroup( number = 163, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P-31c", point_group_name = "PG3bar1m", crystal_system = "TRIGONAL", pdb_name = "P -3 1 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_12), SymOp(Rot_mXY_Y_mZ, Tr_0_0_12), SymOp(Rot_X_XmY_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_12), SymOp(Rot_XmY_mY_Z, Tr_0_0_12), SymOp(Rot_mX_mXY_Z, Tr_0_0_12)]) sg164 = SpaceGroup( number = 164, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P-3m1", point_group_name = "PG3barm1", crystal_system = "TRIGONAL", pdb_name = "P -3 2/m 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_mXY_Y_Z, Tr_0_0_0), SymOp(Rot_X_XmY_Z, Tr_0_0_0)]) sg165 = SpaceGroup( number = 165, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P-3c1", point_group_name = "PG3barm1", crystal_system = "TRIGONAL", pdb_name = "P -3 2/c 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_XmY_mY_mZ, Tr_0_0_12), SymOp(Rot_mX_mXY_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_mXY_Y_Z, Tr_0_0_12), SymOp(Rot_X_XmY_Z, Tr_0_0_12)]) sg166 = SpaceGroup( number = 166, num_sym_equiv = 36, num_primitive_sym_equiv = 12, short_name = "H-3m", point_group_name = "PG3barm", crystal_system = "TRIGONAL", pdb_name = "H -3 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_mXY_Y_Z, Tr_0_0_0), SymOp(Rot_X_XmY_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_23_13_13), SymOp(Rot_mY_XmY_Z, Tr_23_13_13), SymOp(Rot_mXY_mX_Z, Tr_23_13_13), SymOp(Rot_Y_X_mZ, Tr_23_13_13), SymOp(Rot_XmY_mY_mZ, Tr_23_13_13), SymOp(Rot_mX_mXY_mZ, Tr_23_13_13), SymOp(Rot_mX_mY_mZ, Tr_23_13_13), SymOp(Rot_Y_mXY_mZ, Tr_23_13_13), SymOp(Rot_XmY_X_mZ, Tr_23_13_13), SymOp(Rot_mY_mX_Z, Tr_23_13_13), SymOp(Rot_mXY_Y_Z, Tr_23_13_13), SymOp(Rot_X_XmY_Z, Tr_23_13_13), SymOp(Rot_X_Y_Z, Tr_13_23_23), SymOp(Rot_mY_XmY_Z, Tr_13_23_23), SymOp(Rot_mXY_mX_Z, Tr_13_23_23), SymOp(Rot_Y_X_mZ, Tr_13_23_23), SymOp(Rot_XmY_mY_mZ, Tr_13_23_23), SymOp(Rot_mX_mXY_mZ, Tr_13_23_23), SymOp(Rot_mX_mY_mZ, Tr_13_23_23), SymOp(Rot_Y_mXY_mZ, Tr_13_23_23), SymOp(Rot_XmY_X_mZ, Tr_13_23_23), SymOp(Rot_mY_mX_Z, Tr_13_23_23), SymOp(Rot_mXY_Y_Z, Tr_13_23_23), SymOp(Rot_X_XmY_Z, Tr_13_23_23)]) sg1166 = SpaceGroup( number = 1166, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "R-3m", point_group_name = "PG3barm", crystal_system = "TRIGONAL", pdb_name = "R -3 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mZ_mY, Tr_0_0_0), SymOp(Rot_mZ_mY_mX, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_X_Z_Y, Tr_0_0_0), SymOp(Rot_Z_Y_X, Tr_0_0_0)]) sg167 = SpaceGroup( number = 167, num_sym_equiv = 36, num_primitive_sym_equiv = 12, short_name = "H-3c", point_group_name = "PG3barm", crystal_system = "TRIGONAL", pdb_name = "H -3 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_XmY_mY_mZ, Tr_0_0_12), SymOp(Rot_mX_mXY_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_mXY_Y_Z, Tr_0_0_12), SymOp(Rot_X_XmY_Z, Tr_0_0_12), SymOp(Rot_X_Y_Z, Tr_23_13_13), SymOp(Rot_mY_XmY_Z, Tr_23_13_13), SymOp(Rot_mXY_mX_Z, Tr_23_13_13), SymOp(Rot_Y_X_mZ, Tr_23_13_56), SymOp(Rot_XmY_mY_mZ, Tr_23_13_56), SymOp(Rot_mX_mXY_mZ, Tr_23_13_56), SymOp(Rot_mX_mY_mZ, Tr_23_13_13), SymOp(Rot_Y_mXY_mZ, Tr_23_13_13), SymOp(Rot_XmY_X_mZ, Tr_23_13_13), SymOp(Rot_mY_mX_Z, Tr_23_13_56), SymOp(Rot_mXY_Y_Z, Tr_23_13_56), SymOp(Rot_X_XmY_Z, Tr_23_13_56), SymOp(Rot_X_Y_Z, Tr_13_23_23), SymOp(Rot_mY_XmY_Z, Tr_13_23_23), SymOp(Rot_mXY_mX_Z, Tr_13_23_23), SymOp(Rot_Y_X_mZ, Tr_13_23_16), SymOp(Rot_XmY_mY_mZ, Tr_13_23_16), SymOp(Rot_mX_mXY_mZ, Tr_13_23_16), SymOp(Rot_mX_mY_mZ, Tr_13_23_23), SymOp(Rot_Y_mXY_mZ, Tr_13_23_23), SymOp(Rot_XmY_X_mZ, Tr_13_23_23), SymOp(Rot_mY_mX_Z, Tr_13_23_16), SymOp(Rot_mXY_Y_Z, Tr_13_23_16), SymOp(Rot_X_XmY_Z, Tr_13_23_16)]) sg1167 = SpaceGroup( number = 1167, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "R-3c", point_group_name = "PG3barm", crystal_system = "TRIGONAL", pdb_name = "R -3 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_mZ_mY, Tr_12_12_12), SymOp(Rot_mZ_mY_mX, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_12_12_12), SymOp(Rot_X_Z_Y, Tr_12_12_12), SymOp(Rot_Z_Y_X, Tr_12_12_12)]) sg168 = SpaceGroup( number = 168, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P6", point_group_name = "PG6", crystal_system = "HEXAGONAL", pdb_name = "P 6", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mXY_Z, Tr_0_0_0), SymOp(Rot_XmY_X_Z, Tr_0_0_0)]) sg169 = SpaceGroup( number = 169, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P61", point_group_name = "PG6", crystal_system = "HEXAGONAL", pdb_name = "P 61", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_13), SymOp(Rot_mXY_mX_Z, Tr_0_0_23), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_Y_mXY_Z, Tr_0_0_56), SymOp(Rot_XmY_X_Z, Tr_0_0_16)]) sg170 = SpaceGroup( number = 170, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P65", point_group_name = "PG6", crystal_system = "HEXAGONAL", pdb_name = "P 65", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_23), SymOp(Rot_mXY_mX_Z, Tr_0_0_13), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_Y_mXY_Z, Tr_0_0_16), SymOp(Rot_XmY_X_Z, Tr_0_0_56)]) sg171 = SpaceGroup( number = 171, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P62", point_group_name = "PG6", crystal_system = "HEXAGONAL", pdb_name = "P 62", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_23), SymOp(Rot_mXY_mX_Z, Tr_0_0_13), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mXY_Z, Tr_0_0_23), SymOp(Rot_XmY_X_Z, Tr_0_0_13)]) sg172 = SpaceGroup( number = 172, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P64", point_group_name = "PG6", crystal_system = "HEXAGONAL", pdb_name = "P 64", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_13), SymOp(Rot_mXY_mX_Z, Tr_0_0_23), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mXY_Z, Tr_0_0_13), SymOp(Rot_XmY_X_Z, Tr_0_0_23)]) sg173 = SpaceGroup( number = 173, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P63", point_group_name = "PG6", crystal_system = "HEXAGONAL", pdb_name = "P 63", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_Y_mXY_Z, Tr_0_0_12), SymOp(Rot_XmY_X_Z, Tr_0_0_12)]) sg174 = SpaceGroup( number = 174, num_sym_equiv = 6, num_primitive_sym_equiv = 6, short_name = "P-6", point_group_name = "PG6bar", crystal_system = "HEXAGONAL", pdb_name = "P -6", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_mY_XmY_mZ, Tr_0_0_0), SymOp(Rot_mXY_mX_mZ, Tr_0_0_0)]) sg175 = SpaceGroup( number = 175, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P6/m", point_group_name = "PG6/m", crystal_system = "HEXAGONAL", pdb_name = "P 6/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mXY_Z, Tr_0_0_0), SymOp(Rot_XmY_X_Z, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_mY_XmY_mZ, Tr_0_0_0), SymOp(Rot_mXY_mX_mZ, Tr_0_0_0)]) sg176 = SpaceGroup( number = 176, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P63/m", point_group_name = "PG6/m", crystal_system = "HEXAGONAL", pdb_name = "P 63/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_Y_mXY_Z, Tr_0_0_12), SymOp(Rot_XmY_X_Z, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_12), SymOp(Rot_mY_XmY_mZ, Tr_0_0_12), SymOp(Rot_mXY_mX_mZ, Tr_0_0_12)]) sg177 = SpaceGroup( number = 177, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P622", point_group_name = "PG622", crystal_system = "HEXAGONAL", pdb_name = "P 6 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mXY_Z, Tr_0_0_0), SymOp(Rot_XmY_X_Z, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mXY_Y_mZ, Tr_0_0_0), SymOp(Rot_X_XmY_mZ, Tr_0_0_0)]) sg178 = SpaceGroup( number = 178, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P6122", point_group_name = "PG622", crystal_system = "HEXAGONAL", pdb_name = "P 61 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_13), SymOp(Rot_mXY_mX_Z, Tr_0_0_23), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_Y_mXY_Z, Tr_0_0_56), SymOp(Rot_XmY_X_Z, Tr_0_0_16), SymOp(Rot_Y_X_mZ, Tr_0_0_13), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_23), SymOp(Rot_mY_mX_mZ, Tr_0_0_56), SymOp(Rot_mXY_Y_mZ, Tr_0_0_12), SymOp(Rot_X_XmY_mZ, Tr_0_0_16)]) sg179 = SpaceGroup( number = 179, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P6522", point_group_name = "PG622", crystal_system = "HEXAGONAL", pdb_name = "P 65 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_23), SymOp(Rot_mXY_mX_Z, Tr_0_0_13), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_Y_mXY_Z, Tr_0_0_16), SymOp(Rot_XmY_X_Z, Tr_0_0_56), SymOp(Rot_Y_X_mZ, Tr_0_0_23), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_13), SymOp(Rot_mY_mX_mZ, Tr_0_0_16), SymOp(Rot_mXY_Y_mZ, Tr_0_0_12), SymOp(Rot_X_XmY_mZ, Tr_0_0_56)]) sg180 = SpaceGroup( number = 180, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P6222", point_group_name = "PG622", crystal_system = "HEXAGONAL", pdb_name = "P 62 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_23), SymOp(Rot_mXY_mX_Z, Tr_0_0_13), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mXY_Z, Tr_0_0_23), SymOp(Rot_XmY_X_Z, Tr_0_0_13), SymOp(Rot_Y_X_mZ, Tr_0_0_23), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_13), SymOp(Rot_mY_mX_mZ, Tr_0_0_23), SymOp(Rot_mXY_Y_mZ, Tr_0_0_0), SymOp(Rot_X_XmY_mZ, Tr_0_0_13)]) sg181 = SpaceGroup( number = 181, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P6422", point_group_name = "PG622", crystal_system = "HEXAGONAL", pdb_name = "P 64 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_13), SymOp(Rot_mXY_mX_Z, Tr_0_0_23), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mXY_Z, Tr_0_0_13), SymOp(Rot_XmY_X_Z, Tr_0_0_23), SymOp(Rot_Y_X_mZ, Tr_0_0_13), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_23), SymOp(Rot_mY_mX_mZ, Tr_0_0_13), SymOp(Rot_mXY_Y_mZ, Tr_0_0_0), SymOp(Rot_X_XmY_mZ, Tr_0_0_23)]) sg182 = SpaceGroup( number = 182, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P6322", point_group_name = "PG622", crystal_system = "HEXAGONAL", pdb_name = "P 63 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_Y_mXY_Z, Tr_0_0_12), SymOp(Rot_XmY_X_Z, Tr_0_0_12), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_12), SymOp(Rot_mXY_Y_mZ, Tr_0_0_12), SymOp(Rot_X_XmY_mZ, Tr_0_0_12)]) sg183 = SpaceGroup( number = 183, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P6mm", point_group_name = "PG6mm", crystal_system = "HEXAGONAL", pdb_name = "P 6 m m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mXY_Z, Tr_0_0_0), SymOp(Rot_XmY_X_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_mXY_Y_Z, Tr_0_0_0), SymOp(Rot_X_XmY_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_XmY_mY_Z, Tr_0_0_0), SymOp(Rot_mX_mXY_Z, Tr_0_0_0)]) sg184 = SpaceGroup( number = 184, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P6cc", point_group_name = "PG6mm", crystal_system = "HEXAGONAL", pdb_name = "P 6 c c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mXY_Z, Tr_0_0_0), SymOp(Rot_XmY_X_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_mXY_Y_Z, Tr_0_0_12), SymOp(Rot_X_XmY_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_12), SymOp(Rot_XmY_mY_Z, Tr_0_0_12), SymOp(Rot_mX_mXY_Z, Tr_0_0_12)]) sg185 = SpaceGroup( number = 185, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P63cm", point_group_name = "PG6mm", crystal_system = "HEXAGONAL", pdb_name = "P 63 c m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_Y_mXY_Z, Tr_0_0_12), SymOp(Rot_XmY_X_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_mXY_Y_Z, Tr_0_0_12), SymOp(Rot_X_XmY_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_XmY_mY_Z, Tr_0_0_0), SymOp(Rot_mX_mXY_Z, Tr_0_0_0)]) sg186 = SpaceGroup( number = 186, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P63mc", point_group_name = "PG6mm", crystal_system = "HEXAGONAL", pdb_name = "P 63 m c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_Y_mXY_Z, Tr_0_0_12), SymOp(Rot_XmY_X_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_mXY_Y_Z, Tr_0_0_0), SymOp(Rot_X_XmY_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_12), SymOp(Rot_XmY_mY_Z, Tr_0_0_12), SymOp(Rot_mX_mXY_Z, Tr_0_0_12)]) sg187 = SpaceGroup( number = 187, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P-6m2", point_group_name = "PG6barm2", crystal_system = "HEXAGONAL", pdb_name = "P -6 m 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_mY_XmY_mZ, Tr_0_0_0), SymOp(Rot_mXY_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_mXY_Y_Z, Tr_0_0_0), SymOp(Rot_X_XmY_Z, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mXY_Y_mZ, Tr_0_0_0), SymOp(Rot_X_XmY_mZ, Tr_0_0_0)]) sg188 = SpaceGroup( number = 188, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P-6c2", point_group_name = "PG6barm2", crystal_system = "HEXAGONAL", pdb_name = "P -6 c 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_12), SymOp(Rot_mY_XmY_mZ, Tr_0_0_12), SymOp(Rot_mXY_mX_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_mXY_Y_Z, Tr_0_0_12), SymOp(Rot_X_XmY_Z, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mXY_Y_mZ, Tr_0_0_0), SymOp(Rot_X_XmY_mZ, Tr_0_0_0)]) sg189 = SpaceGroup( number = 189, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P-62m", point_group_name = "PG6bar2m", crystal_system = "HEXAGONAL", pdb_name = "P -6 2 m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_mY_XmY_mZ, Tr_0_0_0), SymOp(Rot_mXY_mX_mZ, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_XmY_mY_Z, Tr_0_0_0), SymOp(Rot_mX_mXY_Z, Tr_0_0_0)]) sg190 = SpaceGroup( number = 190, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P-62c", point_group_name = "PG6bar2m", crystal_system = "HEXAGONAL", pdb_name = "P -6 2 c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_12), SymOp(Rot_mY_XmY_mZ, Tr_0_0_12), SymOp(Rot_mXY_mX_mZ, Tr_0_0_12), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_12), SymOp(Rot_XmY_mY_Z, Tr_0_0_12), SymOp(Rot_mX_mXY_Z, Tr_0_0_12)]) sg191 = SpaceGroup( number = 191, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "P6/mmm", point_group_name = "PG6/mmm", crystal_system = "HEXAGONAL", pdb_name = "P 6/m 2/m 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mXY_Z, Tr_0_0_0), SymOp(Rot_XmY_X_Z, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mXY_Y_mZ, Tr_0_0_0), SymOp(Rot_X_XmY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_mXY_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_XmY_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_mXY_Y_Z, Tr_0_0_0), SymOp(Rot_X_XmY_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_XmY_mY_Z, Tr_0_0_0), SymOp(Rot_mX_mXY_Z, Tr_0_0_0)]) sg192 = SpaceGroup( number = 192, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "P6/mcc", point_group_name = "PG6/mmm", crystal_system = "HEXAGONAL", pdb_name = "P 6/m 2/c 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_Y_mXY_Z, Tr_0_0_0), SymOp(Rot_XmY_X_Z, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_XmY_mY_mZ, Tr_0_0_12), SymOp(Rot_mX_mXY_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_12), SymOp(Rot_mXY_Y_mZ, Tr_0_0_12), SymOp(Rot_X_XmY_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_mXY_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_XmY_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_mXY_Y_Z, Tr_0_0_12), SymOp(Rot_X_XmY_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_12), SymOp(Rot_XmY_mY_Z, Tr_0_0_12), SymOp(Rot_mX_mXY_Z, Tr_0_0_12)]) sg193 = SpaceGroup( number = 193, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "P63/mcm", point_group_name = "PG6/mmm", crystal_system = "HEXAGONAL", pdb_name = "P 63/m 2/c 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_Y_mXY_Z, Tr_0_0_12), SymOp(Rot_XmY_X_Z, Tr_0_0_12), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_XmY_mY_mZ, Tr_0_0_12), SymOp(Rot_mX_mXY_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_mXY_Y_mZ, Tr_0_0_0), SymOp(Rot_X_XmY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_12), SymOp(Rot_mXY_mX_mZ, Tr_0_0_12), SymOp(Rot_mY_XmY_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_mXY_Y_Z, Tr_0_0_12), SymOp(Rot_X_XmY_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_XmY_mY_Z, Tr_0_0_0), SymOp(Rot_mX_mXY_Z, Tr_0_0_0)]) sg194 = SpaceGroup( number = 194, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "P63/mmc", point_group_name = "PG6/mmm", crystal_system = "HEXAGONAL", pdb_name = "P 63/m 2/m 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mY_XmY_Z, Tr_0_0_0), SymOp(Rot_mXY_mX_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_Y_mXY_Z, Tr_0_0_12), SymOp(Rot_XmY_X_Z, Tr_0_0_12), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_XmY_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mXY_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_12), SymOp(Rot_mXY_Y_mZ, Tr_0_0_12), SymOp(Rot_X_XmY_mZ, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_Y_mXY_mZ, Tr_0_0_0), SymOp(Rot_XmY_X_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_12), SymOp(Rot_mXY_mX_mZ, Tr_0_0_12), SymOp(Rot_mY_XmY_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_mXY_Y_Z, Tr_0_0_0), SymOp(Rot_X_XmY_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_12), SymOp(Rot_XmY_mY_Z, Tr_0_0_12), SymOp(Rot_mX_mXY_Z, Tr_0_0_12)]) sg195 = SpaceGroup( number = 195, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P23", point_group_name = "PG23", crystal_system = "CUBIC", pdb_name = "P 2 3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0)]) sg196 = SpaceGroup( number = 196, num_sym_equiv = 48, num_primitive_sym_equiv = 12, short_name = "F23", point_group_name = "PG23", crystal_system = "CUBIC", pdb_name = "F 2 3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_Z_X_Y, Tr_0_12_12), SymOp(Rot_Z_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_12_12), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_0_12_12), SymOp(Rot_mY_mZ_X, Tr_0_12_12), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_Z_X_Y, Tr_12_0_12), SymOp(Rot_Z_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_12_0_12), SymOp(Rot_Y_Z_X, Tr_12_0_12), SymOp(Rot_mY_Z_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_mX, Tr_12_0_12), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_12_12_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_12_0), SymOp(Rot_mZ_X_mY, Tr_12_12_0), SymOp(Rot_Y_Z_X, Tr_12_12_0), SymOp(Rot_mY_Z_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_12_0)]) sg197 = SpaceGroup( number = 197, num_sym_equiv = 24, num_primitive_sym_equiv = 12, short_name = "I23", point_group_name = "PG23", crystal_system = "CUBIC", pdb_name = "I 2 3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_Z_X_Y, Tr_12_12_12), SymOp(Rot_Z_mX_mY, Tr_12_12_12), SymOp(Rot_mZ_mX_Y, Tr_12_12_12), SymOp(Rot_mZ_X_mY, Tr_12_12_12), SymOp(Rot_Y_Z_X, Tr_12_12_12), SymOp(Rot_mY_Z_mX, Tr_12_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_12), SymOp(Rot_mY_mZ_X, Tr_12_12_12)]) sg198 = SpaceGroup( number = 198, num_sym_equiv = 12, num_primitive_sym_equiv = 12, short_name = "P213", point_group_name = "PG23", crystal_system = "CUBIC", pdb_name = "P 21 3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_0_12)]) sg199 = SpaceGroup( number = 199, num_sym_equiv = 24, num_primitive_sym_equiv = 12, short_name = "I213", point_group_name = "PG23", crystal_system = "CUBIC", pdb_name = "I 21 3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_Z_X_Y, Tr_12_12_12), SymOp(Rot_Z_mX_mY, Tr_0_0_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_0), SymOp(Rot_mZ_X_mY, Tr_12_0_0), SymOp(Rot_Y_Z_X, Tr_12_12_12), SymOp(Rot_mY_Z_mX, Tr_12_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_12), SymOp(Rot_mY_mZ_X, Tr_0_12_0)]) sg200 = SpaceGroup( number = 200, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "Pm-3", point_group_name = "PGm3bar", crystal_system = "CUBIC", pdb_name = "P 2/m -3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_X_Y, Tr_0_0_0), SymOp(Rot_Z_X_mY, Tr_0_0_0), SymOp(Rot_Z_mX_Y, Tr_0_0_0), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_X, Tr_0_0_0), SymOp(Rot_mY_Z_X, Tr_0_0_0), SymOp(Rot_Y_Z_mX, Tr_0_0_0)]) sg201 = SpaceGroup( number = 201, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "Pn-3", point_group_name = "PGm3bar", crystal_system = "CUBIC", pdb_name = "P 2/n -3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mZ_mX_mY, Tr_12_12_12), SymOp(Rot_mZ_X_Y, Tr_12_12_12), SymOp(Rot_Z_X_mY, Tr_12_12_12), SymOp(Rot_Z_mX_Y, Tr_12_12_12), SymOp(Rot_mY_mZ_mX, Tr_12_12_12), SymOp(Rot_Y_mZ_X, Tr_12_12_12), SymOp(Rot_mY_Z_X, Tr_12_12_12), SymOp(Rot_Y_Z_mX, Tr_12_12_12)]) sg202 = SpaceGroup( number = 202, num_sym_equiv = 96, num_primitive_sym_equiv = 24, short_name = "Fm-3", point_group_name = "PGm3bar", crystal_system = "CUBIC", pdb_name = "F 2/m -3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_X_Y, Tr_0_0_0), SymOp(Rot_Z_X_mY, Tr_0_0_0), SymOp(Rot_Z_mX_Y, Tr_0_0_0), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_X, Tr_0_0_0), SymOp(Rot_mY_Z_X, Tr_0_0_0), SymOp(Rot_Y_Z_mX, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_Z_X_Y, Tr_0_12_12), SymOp(Rot_Z_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_12_12), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_0_12_12), SymOp(Rot_mY_mZ_X, Tr_0_12_12), SymOp(Rot_mX_mY_mZ, Tr_0_12_12), SymOp(Rot_X_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_0_12_12), SymOp(Rot_mZ_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_X_Y, Tr_0_12_12), SymOp(Rot_Z_X_mY, Tr_0_12_12), SymOp(Rot_Z_mX_Y, Tr_0_12_12), SymOp(Rot_mY_mZ_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_X, Tr_0_12_12), SymOp(Rot_mY_Z_X, Tr_0_12_12), SymOp(Rot_Y_Z_mX, Tr_0_12_12), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_Z_X_Y, Tr_12_0_12), SymOp(Rot_Z_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_12_0_12), SymOp(Rot_Y_Z_X, Tr_12_0_12), SymOp(Rot_mY_Z_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_mX, Tr_12_0_12), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_mX_mY_mZ, Tr_12_0_12), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_Z, Tr_12_0_12), SymOp(Rot_mZ_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_X_Y, Tr_12_0_12), SymOp(Rot_Z_X_mY, Tr_12_0_12), SymOp(Rot_Z_mX_Y, Tr_12_0_12), SymOp(Rot_mY_mZ_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_X, Tr_12_0_12), SymOp(Rot_mY_Z_X, Tr_12_0_12), SymOp(Rot_Y_Z_mX, Tr_12_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_12_12_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_12_0), SymOp(Rot_mZ_X_mY, Tr_12_12_0), SymOp(Rot_Y_Z_X, Tr_12_12_0), SymOp(Rot_mY_Z_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mZ_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_X_Y, Tr_12_12_0), SymOp(Rot_Z_X_mY, Tr_12_12_0), SymOp(Rot_Z_mX_Y, Tr_12_12_0), SymOp(Rot_mY_mZ_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_X, Tr_12_12_0), SymOp(Rot_mY_Z_X, Tr_12_12_0), SymOp(Rot_Y_Z_mX, Tr_12_12_0)]) sg203 = SpaceGroup( number = 203, num_sym_equiv = 96, num_primitive_sym_equiv = 24, short_name = "Fd-3", point_group_name = "PGm3bar", crystal_system = "CUBIC", pdb_name = "F 2/d -3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_14_14_14), SymOp(Rot_X_Y_mZ, Tr_14_14_14), SymOp(Rot_X_mY_Z, Tr_14_14_14), SymOp(Rot_mX_Y_Z, Tr_14_14_14), SymOp(Rot_mZ_mX_mY, Tr_14_14_14), SymOp(Rot_mZ_X_Y, Tr_14_14_14), SymOp(Rot_Z_X_mY, Tr_14_14_14), SymOp(Rot_Z_mX_Y, Tr_14_14_14), SymOp(Rot_mY_mZ_mX, Tr_14_14_14), SymOp(Rot_Y_mZ_X, Tr_14_14_14), SymOp(Rot_mY_Z_X, Tr_14_14_14), SymOp(Rot_Y_Z_mX, Tr_14_14_14), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_Z_X_Y, Tr_0_12_12), SymOp(Rot_Z_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_12_12), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_0_12_12), SymOp(Rot_mY_mZ_X, Tr_0_12_12), SymOp(Rot_mX_mY_mZ, Tr_14_34_34), SymOp(Rot_X_Y_mZ, Tr_14_34_34), SymOp(Rot_X_mY_Z, Tr_14_34_34), SymOp(Rot_mX_Y_Z, Tr_14_34_34), SymOp(Rot_mZ_mX_mY, Tr_14_34_34), SymOp(Rot_mZ_X_Y, Tr_14_34_34), SymOp(Rot_Z_X_mY, Tr_14_34_34), SymOp(Rot_Z_mX_Y, Tr_14_34_34), SymOp(Rot_mY_mZ_mX, Tr_14_34_34), SymOp(Rot_Y_mZ_X, Tr_14_34_34), SymOp(Rot_mY_Z_X, Tr_14_34_34), SymOp(Rot_Y_Z_mX, Tr_14_34_34), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_Z_X_Y, Tr_12_0_12), SymOp(Rot_Z_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_12_0_12), SymOp(Rot_Y_Z_X, Tr_12_0_12), SymOp(Rot_mY_Z_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_mX, Tr_12_0_12), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_mX_mY_mZ, Tr_34_14_34), SymOp(Rot_X_Y_mZ, Tr_34_14_34), SymOp(Rot_X_mY_Z, Tr_34_14_34), SymOp(Rot_mX_Y_Z, Tr_34_14_34), SymOp(Rot_mZ_mX_mY, Tr_34_14_34), SymOp(Rot_mZ_X_Y, Tr_34_14_34), SymOp(Rot_Z_X_mY, Tr_34_14_34), SymOp(Rot_Z_mX_Y, Tr_34_14_34), SymOp(Rot_mY_mZ_mX, Tr_34_14_34), SymOp(Rot_Y_mZ_X, Tr_34_14_34), SymOp(Rot_mY_Z_X, Tr_34_14_34), SymOp(Rot_Y_Z_mX, Tr_34_14_34), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_12_12_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_12_0), SymOp(Rot_mZ_X_mY, Tr_12_12_0), SymOp(Rot_Y_Z_X, Tr_12_12_0), SymOp(Rot_mY_Z_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_34_34_14), SymOp(Rot_X_Y_mZ, Tr_34_34_14), SymOp(Rot_X_mY_Z, Tr_34_34_14), SymOp(Rot_mX_Y_Z, Tr_34_34_14), SymOp(Rot_mZ_mX_mY, Tr_34_34_14), SymOp(Rot_mZ_X_Y, Tr_34_34_14), SymOp(Rot_Z_X_mY, Tr_34_34_14), SymOp(Rot_Z_mX_Y, Tr_34_34_14), SymOp(Rot_mY_mZ_mX, Tr_34_34_14), SymOp(Rot_Y_mZ_X, Tr_34_34_14), SymOp(Rot_mY_Z_X, Tr_34_34_14), SymOp(Rot_Y_Z_mX, Tr_34_34_14)]) sg204 = SpaceGroup( number = 204, num_sym_equiv = 48, num_primitive_sym_equiv = 24, short_name = "Im-3", point_group_name = "PGm3bar", crystal_system = "CUBIC", pdb_name = "I 2/m -3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_X_Y, Tr_0_0_0), SymOp(Rot_Z_X_mY, Tr_0_0_0), SymOp(Rot_Z_mX_Y, Tr_0_0_0), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_X, Tr_0_0_0), SymOp(Rot_mY_Z_X, Tr_0_0_0), SymOp(Rot_Y_Z_mX, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_Z_X_Y, Tr_12_12_12), SymOp(Rot_Z_mX_mY, Tr_12_12_12), SymOp(Rot_mZ_mX_Y, Tr_12_12_12), SymOp(Rot_mZ_X_mY, Tr_12_12_12), SymOp(Rot_Y_Z_X, Tr_12_12_12), SymOp(Rot_mY_Z_mX, Tr_12_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_12), SymOp(Rot_mY_mZ_X, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mZ_mX_mY, Tr_12_12_12), SymOp(Rot_mZ_X_Y, Tr_12_12_12), SymOp(Rot_Z_X_mY, Tr_12_12_12), SymOp(Rot_Z_mX_Y, Tr_12_12_12), SymOp(Rot_mY_mZ_mX, Tr_12_12_12), SymOp(Rot_Y_mZ_X, Tr_12_12_12), SymOp(Rot_mY_Z_X, Tr_12_12_12), SymOp(Rot_Y_Z_mX, Tr_12_12_12)]) sg205 = SpaceGroup( number = 205, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "Pa-3", point_group_name = "PGm3bar", crystal_system = "CUBIC", pdb_name = "P 21/a -3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_X_Y, Tr_12_12_0), SymOp(Rot_Z_X_mY, Tr_12_0_12), SymOp(Rot_Z_mX_Y, Tr_0_12_12), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_X, Tr_0_12_12), SymOp(Rot_mY_Z_X, Tr_12_12_0), SymOp(Rot_Y_Z_mX, Tr_12_0_12)]) sg206 = SpaceGroup( number = 206, num_sym_equiv = 48, num_primitive_sym_equiv = 24, short_name = "Ia-3", point_group_name = "PGm3bar", crystal_system = "CUBIC", pdb_name = "I 21/a -3", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_X_Y, Tr_12_12_0), SymOp(Rot_Z_X_mY, Tr_12_0_12), SymOp(Rot_Z_mX_Y, Tr_0_12_12), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_X, Tr_0_12_12), SymOp(Rot_mY_Z_X, Tr_12_12_0), SymOp(Rot_Y_Z_mX, Tr_12_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_Z_X_Y, Tr_12_12_12), SymOp(Rot_Z_mX_mY, Tr_0_0_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_0), SymOp(Rot_mZ_X_mY, Tr_12_0_0), SymOp(Rot_Y_Z_X, Tr_12_12_12), SymOp(Rot_mY_Z_mX, Tr_12_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_12), SymOp(Rot_mY_mZ_X, Tr_0_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_0_12_0), SymOp(Rot_X_mY_Z, Tr_12_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_mZ_mX_mY, Tr_12_12_12), SymOp(Rot_mZ_X_Y, Tr_0_0_12), SymOp(Rot_Z_X_mY, Tr_0_12_0), SymOp(Rot_Z_mX_Y, Tr_12_0_0), SymOp(Rot_mY_mZ_mX, Tr_12_12_12), SymOp(Rot_Y_mZ_X, Tr_12_0_0), SymOp(Rot_mY_Z_X, Tr_0_0_12), SymOp(Rot_Y_Z_mX, Tr_0_12_0)]) sg207 = SpaceGroup( number = 207, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "P432", point_group_name = "PG432", crystal_system = "CUBIC", pdb_name = "P 4 3 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_X_Z_mY, Tr_0_0_0), SymOp(Rot_mX_Z_Y, Tr_0_0_0), SymOp(Rot_mX_mZ_mY, Tr_0_0_0), SymOp(Rot_X_mZ_Y, Tr_0_0_0), SymOp(Rot_Z_Y_mX, Tr_0_0_0), SymOp(Rot_Z_mY_X, Tr_0_0_0), SymOp(Rot_mZ_Y_X, Tr_0_0_0), SymOp(Rot_mZ_mY_mX, Tr_0_0_0)]) sg208 = SpaceGroup( number = 208, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "P4232", point_group_name = "PG432", crystal_system = "CUBIC", pdb_name = "P 42 3 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_X_Z_mY, Tr_12_12_12), SymOp(Rot_mX_Z_Y, Tr_12_12_12), SymOp(Rot_mX_mZ_mY, Tr_12_12_12), SymOp(Rot_X_mZ_Y, Tr_12_12_12), SymOp(Rot_Z_Y_mX, Tr_12_12_12), SymOp(Rot_Z_mY_X, Tr_12_12_12), SymOp(Rot_mZ_Y_X, Tr_12_12_12), SymOp(Rot_mZ_mY_mX, Tr_12_12_12)]) sg209 = SpaceGroup( number = 209, num_sym_equiv = 96, num_primitive_sym_equiv = 24, short_name = "F432", point_group_name = "PG432", crystal_system = "CUBIC", pdb_name = "F 4 3 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_X_Z_mY, Tr_0_0_0), SymOp(Rot_mX_Z_Y, Tr_0_0_0), SymOp(Rot_mX_mZ_mY, Tr_0_0_0), SymOp(Rot_X_mZ_Y, Tr_0_0_0), SymOp(Rot_Z_Y_mX, Tr_0_0_0), SymOp(Rot_Z_mY_X, Tr_0_0_0), SymOp(Rot_mZ_Y_X, Tr_0_0_0), SymOp(Rot_mZ_mY_mX, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_Z_X_Y, Tr_0_12_12), SymOp(Rot_Z_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_12_12), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_0_12_12), SymOp(Rot_mY_mZ_X, Tr_0_12_12), SymOp(Rot_Y_X_mZ, Tr_0_12_12), SymOp(Rot_mY_mX_mZ, Tr_0_12_12), SymOp(Rot_Y_mX_Z, Tr_0_12_12), SymOp(Rot_mY_X_Z, Tr_0_12_12), SymOp(Rot_X_Z_mY, Tr_0_12_12), SymOp(Rot_mX_Z_Y, Tr_0_12_12), SymOp(Rot_mX_mZ_mY, Tr_0_12_12), SymOp(Rot_X_mZ_Y, Tr_0_12_12), SymOp(Rot_Z_Y_mX, Tr_0_12_12), SymOp(Rot_Z_mY_X, Tr_0_12_12), SymOp(Rot_mZ_Y_X, Tr_0_12_12), SymOp(Rot_mZ_mY_mX, Tr_0_12_12), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_Z_X_Y, Tr_12_0_12), SymOp(Rot_Z_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_12_0_12), SymOp(Rot_Y_Z_X, Tr_12_0_12), SymOp(Rot_mY_Z_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_mX, Tr_12_0_12), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_mZ, Tr_12_0_12), SymOp(Rot_mY_mX_mZ, Tr_12_0_12), SymOp(Rot_Y_mX_Z, Tr_12_0_12), SymOp(Rot_mY_X_Z, Tr_12_0_12), SymOp(Rot_X_Z_mY, Tr_12_0_12), SymOp(Rot_mX_Z_Y, Tr_12_0_12), SymOp(Rot_mX_mZ_mY, Tr_12_0_12), SymOp(Rot_X_mZ_Y, Tr_12_0_12), SymOp(Rot_Z_Y_mX, Tr_12_0_12), SymOp(Rot_Z_mY_X, Tr_12_0_12), SymOp(Rot_mZ_Y_X, Tr_12_0_12), SymOp(Rot_mZ_mY_mX, Tr_12_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_12_12_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_12_0), SymOp(Rot_mZ_X_mY, Tr_12_12_0), SymOp(Rot_Y_Z_X, Tr_12_12_0), SymOp(Rot_mY_Z_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_12_12_0), SymOp(Rot_mY_mX_mZ, Tr_12_12_0), SymOp(Rot_Y_mX_Z, Tr_12_12_0), SymOp(Rot_mY_X_Z, Tr_12_12_0), SymOp(Rot_X_Z_mY, Tr_12_12_0), SymOp(Rot_mX_Z_Y, Tr_12_12_0), SymOp(Rot_mX_mZ_mY, Tr_12_12_0), SymOp(Rot_X_mZ_Y, Tr_12_12_0), SymOp(Rot_Z_Y_mX, Tr_12_12_0), SymOp(Rot_Z_mY_X, Tr_12_12_0), SymOp(Rot_mZ_Y_X, Tr_12_12_0), SymOp(Rot_mZ_mY_mX, Tr_12_12_0)]) sg210 = SpaceGroup( number = 210, num_sym_equiv = 96, num_primitive_sym_equiv = 24, short_name = "F4132", point_group_name = "PG432", crystal_system = "CUBIC", pdb_name = "F 41 3 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_12), SymOp(Rot_mZ_X_mY, Tr_12_12_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_mX, Tr_12_0_12), SymOp(Rot_mY_mZ_X, Tr_0_12_12), SymOp(Rot_Y_X_mZ, Tr_34_14_34), SymOp(Rot_mY_mX_mZ, Tr_14_14_14), SymOp(Rot_Y_mX_Z, Tr_14_34_34), SymOp(Rot_mY_X_Z, Tr_34_34_14), SymOp(Rot_X_Z_mY, Tr_34_14_34), SymOp(Rot_mX_Z_Y, Tr_34_34_14), SymOp(Rot_mX_mZ_mY, Tr_14_14_14), SymOp(Rot_X_mZ_Y, Tr_14_34_34), SymOp(Rot_Z_Y_mX, Tr_34_14_34), SymOp(Rot_Z_mY_X, Tr_14_34_34), SymOp(Rot_mZ_Y_X, Tr_34_34_14), SymOp(Rot_mZ_mY_mX, Tr_14_14_14), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_0_12_12), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_12_0_12), SymOp(Rot_Y_Z_X, Tr_0_12_12), SymOp(Rot_mY_Z_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_34_34_14), SymOp(Rot_mY_mX_mZ, Tr_14_34_34), SymOp(Rot_Y_mX_Z, Tr_14_14_14), SymOp(Rot_mY_X_Z, Tr_34_14_34), SymOp(Rot_X_Z_mY, Tr_34_34_14), SymOp(Rot_mX_Z_Y, Tr_34_14_34), SymOp(Rot_mX_mZ_mY, Tr_14_34_34), SymOp(Rot_X_mZ_Y, Tr_14_14_14), SymOp(Rot_Z_Y_mX, Tr_34_34_14), SymOp(Rot_Z_mY_X, Tr_14_14_14), SymOp(Rot_mZ_Y_X, Tr_34_14_34), SymOp(Rot_mZ_mY_mX, Tr_14_34_34), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_12_0_12), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_12_12_0), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_12_0_12), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_14_14_14), SymOp(Rot_mY_mX_mZ, Tr_34_14_34), SymOp(Rot_Y_mX_Z, Tr_34_34_14), SymOp(Rot_mY_X_Z, Tr_14_34_34), SymOp(Rot_X_Z_mY, Tr_14_14_14), SymOp(Rot_mX_Z_Y, Tr_14_34_34), SymOp(Rot_mX_mZ_mY, Tr_34_14_34), SymOp(Rot_X_mZ_Y, Tr_34_34_14), SymOp(Rot_Z_Y_mX, Tr_14_14_14), SymOp(Rot_Z_mY_X, Tr_34_34_14), SymOp(Rot_mZ_Y_X, Tr_14_34_34), SymOp(Rot_mZ_mY_mX, Tr_34_14_34), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_Z_X_Y, Tr_12_12_0), SymOp(Rot_Z_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_12_12_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_12_12), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_mZ, Tr_14_34_34), SymOp(Rot_mY_mX_mZ, Tr_34_34_14), SymOp(Rot_Y_mX_Z, Tr_34_14_34), SymOp(Rot_mY_X_Z, Tr_14_14_14), SymOp(Rot_X_Z_mY, Tr_14_34_34), SymOp(Rot_mX_Z_Y, Tr_14_14_14), SymOp(Rot_mX_mZ_mY, Tr_34_34_14), SymOp(Rot_X_mZ_Y, Tr_34_14_34), SymOp(Rot_Z_Y_mX, Tr_14_34_34), SymOp(Rot_Z_mY_X, Tr_34_14_34), SymOp(Rot_mZ_Y_X, Tr_14_14_14), SymOp(Rot_mZ_mY_mX, Tr_34_34_14)]) sg211 = SpaceGroup( number = 211, num_sym_equiv = 48, num_primitive_sym_equiv = 24, short_name = "I432", point_group_name = "PG432", crystal_system = "CUBIC", pdb_name = "I 4 3 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_X_Z_mY, Tr_0_0_0), SymOp(Rot_mX_Z_Y, Tr_0_0_0), SymOp(Rot_mX_mZ_mY, Tr_0_0_0), SymOp(Rot_X_mZ_Y, Tr_0_0_0), SymOp(Rot_Z_Y_mX, Tr_0_0_0), SymOp(Rot_Z_mY_X, Tr_0_0_0), SymOp(Rot_mZ_Y_X, Tr_0_0_0), SymOp(Rot_mZ_mY_mX, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_Z_X_Y, Tr_12_12_12), SymOp(Rot_Z_mX_mY, Tr_12_12_12), SymOp(Rot_mZ_mX_Y, Tr_12_12_12), SymOp(Rot_mZ_X_mY, Tr_12_12_12), SymOp(Rot_Y_Z_X, Tr_12_12_12), SymOp(Rot_mY_Z_mX, Tr_12_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_12), SymOp(Rot_mY_mZ_X, Tr_12_12_12), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_X_Z_mY, Tr_12_12_12), SymOp(Rot_mX_Z_Y, Tr_12_12_12), SymOp(Rot_mX_mZ_mY, Tr_12_12_12), SymOp(Rot_X_mZ_Y, Tr_12_12_12), SymOp(Rot_Z_Y_mX, Tr_12_12_12), SymOp(Rot_Z_mY_X, Tr_12_12_12), SymOp(Rot_mZ_Y_X, Tr_12_12_12), SymOp(Rot_mZ_mY_mX, Tr_12_12_12)]) sg212 = SpaceGroup( number = 212, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "P4332", point_group_name = "PG432", crystal_system = "CUBIC", pdb_name = "P 43 3 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_mZ, Tr_14_34_34), SymOp(Rot_mY_mX_mZ, Tr_14_14_14), SymOp(Rot_Y_mX_Z, Tr_34_34_14), SymOp(Rot_mY_X_Z, Tr_34_14_34), SymOp(Rot_X_Z_mY, Tr_14_34_34), SymOp(Rot_mX_Z_Y, Tr_34_14_34), SymOp(Rot_mX_mZ_mY, Tr_14_14_14), SymOp(Rot_X_mZ_Y, Tr_34_34_14), SymOp(Rot_Z_Y_mX, Tr_14_34_34), SymOp(Rot_Z_mY_X, Tr_34_34_14), SymOp(Rot_mZ_Y_X, Tr_34_14_34), SymOp(Rot_mZ_mY_mX, Tr_14_14_14)]) sg213 = SpaceGroup( number = 213, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "P4132", point_group_name = "PG432", crystal_system = "CUBIC", pdb_name = "P 41 3 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_mZ, Tr_34_14_14), SymOp(Rot_mY_mX_mZ, Tr_34_34_34), SymOp(Rot_Y_mX_Z, Tr_14_14_34), SymOp(Rot_mY_X_Z, Tr_14_34_14), SymOp(Rot_X_Z_mY, Tr_34_14_14), SymOp(Rot_mX_Z_Y, Tr_14_34_14), SymOp(Rot_mX_mZ_mY, Tr_34_34_34), SymOp(Rot_X_mZ_Y, Tr_14_14_34), SymOp(Rot_Z_Y_mX, Tr_34_14_14), SymOp(Rot_Z_mY_X, Tr_14_14_34), SymOp(Rot_mZ_Y_X, Tr_14_34_14), SymOp(Rot_mZ_mY_mX, Tr_34_34_34)]) sg214 = SpaceGroup( number = 214, num_sym_equiv = 48, num_primitive_sym_equiv = 24, short_name = "I4132", point_group_name = "PG432", crystal_system = "CUBIC", pdb_name = "I 41 3 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_mZ, Tr_34_14_14), SymOp(Rot_mY_mX_mZ, Tr_34_34_34), SymOp(Rot_Y_mX_Z, Tr_14_14_34), SymOp(Rot_mY_X_Z, Tr_14_34_14), SymOp(Rot_X_Z_mY, Tr_34_14_14), SymOp(Rot_mX_Z_Y, Tr_14_34_14), SymOp(Rot_mX_mZ_mY, Tr_34_34_34), SymOp(Rot_X_mZ_Y, Tr_14_14_34), SymOp(Rot_Z_Y_mX, Tr_34_14_14), SymOp(Rot_Z_mY_X, Tr_14_14_34), SymOp(Rot_mZ_Y_X, Tr_14_34_14), SymOp(Rot_mZ_mY_mX, Tr_34_34_34), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_Z_X_Y, Tr_12_12_12), SymOp(Rot_Z_mX_mY, Tr_0_0_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_0), SymOp(Rot_mZ_X_mY, Tr_12_0_0), SymOp(Rot_Y_Z_X, Tr_12_12_12), SymOp(Rot_mY_Z_mX, Tr_12_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_12), SymOp(Rot_mY_mZ_X, Tr_0_12_0), SymOp(Rot_Y_X_mZ, Tr_14_34_34), SymOp(Rot_mY_mX_mZ, Tr_14_14_14), SymOp(Rot_Y_mX_Z, Tr_34_34_14), SymOp(Rot_mY_X_Z, Tr_34_14_34), SymOp(Rot_X_Z_mY, Tr_14_34_34), SymOp(Rot_mX_Z_Y, Tr_34_14_34), SymOp(Rot_mX_mZ_mY, Tr_14_14_14), SymOp(Rot_X_mZ_Y, Tr_34_34_14), SymOp(Rot_Z_Y_mX, Tr_14_34_34), SymOp(Rot_Z_mY_X, Tr_34_34_14), SymOp(Rot_mZ_Y_X, Tr_34_14_34), SymOp(Rot_mZ_mY_mX, Tr_14_14_14)]) sg215 = SpaceGroup( number = 215, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "P-43m", point_group_name = "PG4bar3m", crystal_system = "CUBIC", pdb_name = "P -4 3 m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_Z_Y, Tr_0_0_0), SymOp(Rot_mX_Z_mY, Tr_0_0_0), SymOp(Rot_mX_mZ_Y, Tr_0_0_0), SymOp(Rot_X_mZ_mY, Tr_0_0_0), SymOp(Rot_Z_Y_X, Tr_0_0_0), SymOp(Rot_Z_mY_mX, Tr_0_0_0), SymOp(Rot_mZ_Y_mX, Tr_0_0_0), SymOp(Rot_mZ_mY_X, Tr_0_0_0)]) sg216 = SpaceGroup( number = 216, num_sym_equiv = 96, num_primitive_sym_equiv = 24, short_name = "F-43m", point_group_name = "PG4bar3m", crystal_system = "CUBIC", pdb_name = "F -4 3 m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_Z_Y, Tr_0_0_0), SymOp(Rot_mX_Z_mY, Tr_0_0_0), SymOp(Rot_mX_mZ_Y, Tr_0_0_0), SymOp(Rot_X_mZ_mY, Tr_0_0_0), SymOp(Rot_Z_Y_X, Tr_0_0_0), SymOp(Rot_Z_mY_mX, Tr_0_0_0), SymOp(Rot_mZ_Y_mX, Tr_0_0_0), SymOp(Rot_mZ_mY_X, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_Z_X_Y, Tr_0_12_12), SymOp(Rot_Z_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_12_12), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_0_12_12), SymOp(Rot_mY_mZ_X, Tr_0_12_12), SymOp(Rot_Y_X_Z, Tr_0_12_12), SymOp(Rot_mY_mX_Z, Tr_0_12_12), SymOp(Rot_Y_mX_mZ, Tr_0_12_12), SymOp(Rot_mY_X_mZ, Tr_0_12_12), SymOp(Rot_X_Z_Y, Tr_0_12_12), SymOp(Rot_mX_Z_mY, Tr_0_12_12), SymOp(Rot_mX_mZ_Y, Tr_0_12_12), SymOp(Rot_X_mZ_mY, Tr_0_12_12), SymOp(Rot_Z_Y_X, Tr_0_12_12), SymOp(Rot_Z_mY_mX, Tr_0_12_12), SymOp(Rot_mZ_Y_mX, Tr_0_12_12), SymOp(Rot_mZ_mY_X, Tr_0_12_12), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_Z_X_Y, Tr_12_0_12), SymOp(Rot_Z_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_12_0_12), SymOp(Rot_Y_Z_X, Tr_12_0_12), SymOp(Rot_mY_Z_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_mX, Tr_12_0_12), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_Z, Tr_12_0_12), SymOp(Rot_mY_mX_Z, Tr_12_0_12), SymOp(Rot_Y_mX_mZ, Tr_12_0_12), SymOp(Rot_mY_X_mZ, Tr_12_0_12), SymOp(Rot_X_Z_Y, Tr_12_0_12), SymOp(Rot_mX_Z_mY, Tr_12_0_12), SymOp(Rot_mX_mZ_Y, Tr_12_0_12), SymOp(Rot_X_mZ_mY, Tr_12_0_12), SymOp(Rot_Z_Y_X, Tr_12_0_12), SymOp(Rot_Z_mY_mX, Tr_12_0_12), SymOp(Rot_mZ_Y_mX, Tr_12_0_12), SymOp(Rot_mZ_mY_X, Tr_12_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_12_12_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_12_0), SymOp(Rot_mZ_X_mY, Tr_12_12_0), SymOp(Rot_Y_Z_X, Tr_12_12_0), SymOp(Rot_mY_Z_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_12_0), SymOp(Rot_Y_X_Z, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_12_12_0), SymOp(Rot_Y_mX_mZ, Tr_12_12_0), SymOp(Rot_mY_X_mZ, Tr_12_12_0), SymOp(Rot_X_Z_Y, Tr_12_12_0), SymOp(Rot_mX_Z_mY, Tr_12_12_0), SymOp(Rot_mX_mZ_Y, Tr_12_12_0), SymOp(Rot_X_mZ_mY, Tr_12_12_0), SymOp(Rot_Z_Y_X, Tr_12_12_0), SymOp(Rot_Z_mY_mX, Tr_12_12_0), SymOp(Rot_mZ_Y_mX, Tr_12_12_0), SymOp(Rot_mZ_mY_X, Tr_12_12_0)]) sg217 = SpaceGroup( number = 217, num_sym_equiv = 48, num_primitive_sym_equiv = 24, short_name = "I-43m", point_group_name = "PG4bar3m", crystal_system = "CUBIC", pdb_name = "I -4 3 m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_X_Z_Y, Tr_0_0_0), SymOp(Rot_mX_Z_mY, Tr_0_0_0), SymOp(Rot_mX_mZ_Y, Tr_0_0_0), SymOp(Rot_X_mZ_mY, Tr_0_0_0), SymOp(Rot_Z_Y_X, Tr_0_0_0), SymOp(Rot_Z_mY_mX, Tr_0_0_0), SymOp(Rot_mZ_Y_mX, Tr_0_0_0), SymOp(Rot_mZ_mY_X, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_Z_X_Y, Tr_12_12_12), SymOp(Rot_Z_mX_mY, Tr_12_12_12), SymOp(Rot_mZ_mX_Y, Tr_12_12_12), SymOp(Rot_mZ_X_mY, Tr_12_12_12), SymOp(Rot_Y_Z_X, Tr_12_12_12), SymOp(Rot_mY_Z_mX, Tr_12_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_12), SymOp(Rot_mY_mZ_X, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_X_Z_Y, Tr_12_12_12), SymOp(Rot_mX_Z_mY, Tr_12_12_12), SymOp(Rot_mX_mZ_Y, Tr_12_12_12), SymOp(Rot_X_mZ_mY, Tr_12_12_12), SymOp(Rot_Z_Y_X, Tr_12_12_12), SymOp(Rot_Z_mY_mX, Tr_12_12_12), SymOp(Rot_mZ_Y_mX, Tr_12_12_12), SymOp(Rot_mZ_mY_X, Tr_12_12_12)]) sg218 = SpaceGroup( number = 218, num_sym_equiv = 24, num_primitive_sym_equiv = 24, short_name = "P-43n", point_group_name = "PG4bar3m", crystal_system = "CUBIC", pdb_name = "P -4 3 n", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_X_Z_Y, Tr_12_12_12), SymOp(Rot_mX_Z_mY, Tr_12_12_12), SymOp(Rot_mX_mZ_Y, Tr_12_12_12), SymOp(Rot_X_mZ_mY, Tr_12_12_12), SymOp(Rot_Z_Y_X, Tr_12_12_12), SymOp(Rot_Z_mY_mX, Tr_12_12_12), SymOp(Rot_mZ_Y_mX, Tr_12_12_12), SymOp(Rot_mZ_mY_X, Tr_12_12_12)]) sg219 = SpaceGroup( number = 219, num_sym_equiv = 96, num_primitive_sym_equiv = 24, short_name = "F-43c", point_group_name = "PG4bar3m", crystal_system = "CUBIC", pdb_name = "F -4 3 c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_X_Z_Y, Tr_12_12_12), SymOp(Rot_mX_Z_mY, Tr_12_12_12), SymOp(Rot_mX_mZ_Y, Tr_12_12_12), SymOp(Rot_X_mZ_mY, Tr_12_12_12), SymOp(Rot_Z_Y_X, Tr_12_12_12), SymOp(Rot_Z_mY_mX, Tr_12_12_12), SymOp(Rot_mZ_Y_mX, Tr_12_12_12), SymOp(Rot_mZ_mY_X, Tr_12_12_12), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_Z_X_Y, Tr_0_12_12), SymOp(Rot_Z_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_12_12), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_0_12_12), SymOp(Rot_mY_mZ_X, Tr_0_12_12), SymOp(Rot_Y_X_Z, Tr_12_0_0), SymOp(Rot_mY_mX_Z, Tr_12_0_0), SymOp(Rot_Y_mX_mZ, Tr_12_0_0), SymOp(Rot_mY_X_mZ, Tr_12_0_0), SymOp(Rot_X_Z_Y, Tr_12_0_0), SymOp(Rot_mX_Z_mY, Tr_12_0_0), SymOp(Rot_mX_mZ_Y, Tr_12_0_0), SymOp(Rot_X_mZ_mY, Tr_12_0_0), SymOp(Rot_Z_Y_X, Tr_12_0_0), SymOp(Rot_Z_mY_mX, Tr_12_0_0), SymOp(Rot_mZ_Y_mX, Tr_12_0_0), SymOp(Rot_mZ_mY_X, Tr_12_0_0), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_Z_X_Y, Tr_12_0_12), SymOp(Rot_Z_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_12_0_12), SymOp(Rot_Y_Z_X, Tr_12_0_12), SymOp(Rot_mY_Z_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_mX, Tr_12_0_12), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_Z, Tr_0_12_0), SymOp(Rot_mY_mX_Z, Tr_0_12_0), SymOp(Rot_Y_mX_mZ, Tr_0_12_0), SymOp(Rot_mY_X_mZ, Tr_0_12_0), SymOp(Rot_X_Z_Y, Tr_0_12_0), SymOp(Rot_mX_Z_mY, Tr_0_12_0), SymOp(Rot_mX_mZ_Y, Tr_0_12_0), SymOp(Rot_X_mZ_mY, Tr_0_12_0), SymOp(Rot_Z_Y_X, Tr_0_12_0), SymOp(Rot_Z_mY_mX, Tr_0_12_0), SymOp(Rot_mZ_Y_mX, Tr_0_12_0), SymOp(Rot_mZ_mY_X, Tr_0_12_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_12_12_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_12_0), SymOp(Rot_mZ_X_mY, Tr_12_12_0), SymOp(Rot_Y_Z_X, Tr_12_12_0), SymOp(Rot_mY_Z_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_12_0), SymOp(Rot_Y_X_Z, Tr_0_0_12), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_Y_mX_mZ, Tr_0_0_12), SymOp(Rot_mY_X_mZ, Tr_0_0_12), SymOp(Rot_X_Z_Y, Tr_0_0_12), SymOp(Rot_mX_Z_mY, Tr_0_0_12), SymOp(Rot_mX_mZ_Y, Tr_0_0_12), SymOp(Rot_X_mZ_mY, Tr_0_0_12), SymOp(Rot_Z_Y_X, Tr_0_0_12), SymOp(Rot_Z_mY_mX, Tr_0_0_12), SymOp(Rot_mZ_Y_mX, Tr_0_0_12), SymOp(Rot_mZ_mY_X, Tr_0_0_12)]) sg220 = SpaceGroup( number = 220, num_sym_equiv = 48, num_primitive_sym_equiv = 24, short_name = "I-43d", point_group_name = "PG4bar3m", crystal_system = "CUBIC", pdb_name = "I -4 3 d", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_Z, Tr_14_14_14), SymOp(Rot_mY_mX_Z, Tr_14_34_34), SymOp(Rot_Y_mX_mZ, Tr_34_14_34), SymOp(Rot_mY_X_mZ, Tr_34_34_14), SymOp(Rot_X_Z_Y, Tr_14_14_14), SymOp(Rot_mX_Z_mY, Tr_34_34_14), SymOp(Rot_mX_mZ_Y, Tr_14_34_34), SymOp(Rot_X_mZ_mY, Tr_34_14_34), SymOp(Rot_Z_Y_X, Tr_14_14_14), SymOp(Rot_Z_mY_mX, Tr_34_14_34), SymOp(Rot_mZ_Y_mX, Tr_34_34_14), SymOp(Rot_mZ_mY_X, Tr_14_34_34), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_Z_X_Y, Tr_12_12_12), SymOp(Rot_Z_mX_mY, Tr_0_0_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_0), SymOp(Rot_mZ_X_mY, Tr_12_0_0), SymOp(Rot_Y_Z_X, Tr_12_12_12), SymOp(Rot_mY_Z_mX, Tr_12_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_12), SymOp(Rot_mY_mZ_X, Tr_0_12_0), SymOp(Rot_Y_X_Z, Tr_34_34_34), SymOp(Rot_mY_mX_Z, Tr_34_14_14), SymOp(Rot_Y_mX_mZ, Tr_14_34_14), SymOp(Rot_mY_X_mZ, Tr_14_14_34), SymOp(Rot_X_Z_Y, Tr_34_34_34), SymOp(Rot_mX_Z_mY, Tr_14_14_34), SymOp(Rot_mX_mZ_Y, Tr_34_14_14), SymOp(Rot_X_mZ_mY, Tr_14_34_14), SymOp(Rot_Z_Y_X, Tr_34_34_34), SymOp(Rot_Z_mY_mX, Tr_14_34_14), SymOp(Rot_mZ_Y_mX, Tr_14_14_34), SymOp(Rot_mZ_mY_X, Tr_34_14_14)]) sg221 = SpaceGroup( number = 221, num_sym_equiv = 48, num_primitive_sym_equiv = 48, short_name = "Pm-3m", point_group_name = "PGm3barm", crystal_system = "CUBIC", pdb_name = "P 4/m -3 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_X_Z_mY, Tr_0_0_0), SymOp(Rot_mX_Z_Y, Tr_0_0_0), SymOp(Rot_mX_mZ_mY, Tr_0_0_0), SymOp(Rot_X_mZ_Y, Tr_0_0_0), SymOp(Rot_Z_Y_mX, Tr_0_0_0), SymOp(Rot_Z_mY_X, Tr_0_0_0), SymOp(Rot_mZ_Y_X, Tr_0_0_0), SymOp(Rot_mZ_mY_mX, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_X_Y, Tr_0_0_0), SymOp(Rot_Z_X_mY, Tr_0_0_0), SymOp(Rot_Z_mX_Y, Tr_0_0_0), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_X, Tr_0_0_0), SymOp(Rot_mY_Z_X, Tr_0_0_0), SymOp(Rot_Y_Z_mX, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mZ_Y, Tr_0_0_0), SymOp(Rot_X_mZ_mY, Tr_0_0_0), SymOp(Rot_X_Z_Y, Tr_0_0_0), SymOp(Rot_mX_Z_mY, Tr_0_0_0), SymOp(Rot_mZ_mY_X, Tr_0_0_0), SymOp(Rot_mZ_Y_mX, Tr_0_0_0), SymOp(Rot_Z_mY_mX, Tr_0_0_0), SymOp(Rot_Z_Y_X, Tr_0_0_0)]) sg222 = SpaceGroup( number = 222, num_sym_equiv = 48, num_primitive_sym_equiv = 48, short_name = "Pn-3n", point_group_name = "PGm3barm", crystal_system = "CUBIC", pdb_name = "P 4/n -3 2/n", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_X_Z_mY, Tr_0_0_0), SymOp(Rot_mX_Z_Y, Tr_0_0_0), SymOp(Rot_mX_mZ_mY, Tr_0_0_0), SymOp(Rot_X_mZ_Y, Tr_0_0_0), SymOp(Rot_Z_Y_mX, Tr_0_0_0), SymOp(Rot_Z_mY_X, Tr_0_0_0), SymOp(Rot_mZ_Y_X, Tr_0_0_0), SymOp(Rot_mZ_mY_mX, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mZ_mX_mY, Tr_12_12_12), SymOp(Rot_mZ_X_Y, Tr_12_12_12), SymOp(Rot_Z_X_mY, Tr_12_12_12), SymOp(Rot_Z_mX_Y, Tr_12_12_12), SymOp(Rot_mY_mZ_mX, Tr_12_12_12), SymOp(Rot_Y_mZ_X, Tr_12_12_12), SymOp(Rot_mY_Z_X, Tr_12_12_12), SymOp(Rot_Y_Z_mX, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_mZ_Y, Tr_12_12_12), SymOp(Rot_X_mZ_mY, Tr_12_12_12), SymOp(Rot_X_Z_Y, Tr_12_12_12), SymOp(Rot_mX_Z_mY, Tr_12_12_12), SymOp(Rot_mZ_mY_X, Tr_12_12_12), SymOp(Rot_mZ_Y_mX, Tr_12_12_12), SymOp(Rot_Z_mY_mX, Tr_12_12_12), SymOp(Rot_Z_Y_X, Tr_12_12_12)]) sg223 = SpaceGroup( number = 223, num_sym_equiv = 48, num_primitive_sym_equiv = 48, short_name = "Pm-3n", point_group_name = "PGm3barm", crystal_system = "CUBIC", pdb_name = "P 42/m -3 2/n", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_X_Z_mY, Tr_12_12_12), SymOp(Rot_mX_Z_Y, Tr_12_12_12), SymOp(Rot_mX_mZ_mY, Tr_12_12_12), SymOp(Rot_X_mZ_Y, Tr_12_12_12), SymOp(Rot_Z_Y_mX, Tr_12_12_12), SymOp(Rot_Z_mY_X, Tr_12_12_12), SymOp(Rot_mZ_Y_X, Tr_12_12_12), SymOp(Rot_mZ_mY_mX, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_X_Y, Tr_0_0_0), SymOp(Rot_Z_X_mY, Tr_0_0_0), SymOp(Rot_Z_mX_Y, Tr_0_0_0), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_X, Tr_0_0_0), SymOp(Rot_mY_Z_X, Tr_0_0_0), SymOp(Rot_Y_Z_mX, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_mZ_Y, Tr_12_12_12), SymOp(Rot_X_mZ_mY, Tr_12_12_12), SymOp(Rot_X_Z_Y, Tr_12_12_12), SymOp(Rot_mX_Z_mY, Tr_12_12_12), SymOp(Rot_mZ_mY_X, Tr_12_12_12), SymOp(Rot_mZ_Y_mX, Tr_12_12_12), SymOp(Rot_Z_mY_mX, Tr_12_12_12), SymOp(Rot_Z_Y_X, Tr_12_12_12)]) sg224 = SpaceGroup( number = 224, num_sym_equiv = 48, num_primitive_sym_equiv = 48, short_name = "Pn-3m", point_group_name = "PGm3barm", crystal_system = "CUBIC", pdb_name = "P 42/n -3 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_X_Z_mY, Tr_12_12_12), SymOp(Rot_mX_Z_Y, Tr_12_12_12), SymOp(Rot_mX_mZ_mY, Tr_12_12_12), SymOp(Rot_X_mZ_Y, Tr_12_12_12), SymOp(Rot_Z_Y_mX, Tr_12_12_12), SymOp(Rot_Z_mY_X, Tr_12_12_12), SymOp(Rot_mZ_Y_X, Tr_12_12_12), SymOp(Rot_mZ_mY_mX, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mZ_mX_mY, Tr_12_12_12), SymOp(Rot_mZ_X_Y, Tr_12_12_12), SymOp(Rot_Z_X_mY, Tr_12_12_12), SymOp(Rot_Z_mX_Y, Tr_12_12_12), SymOp(Rot_mY_mZ_mX, Tr_12_12_12), SymOp(Rot_Y_mZ_X, Tr_12_12_12), SymOp(Rot_mY_Z_X, Tr_12_12_12), SymOp(Rot_Y_Z_mX, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mZ_Y, Tr_0_0_0), SymOp(Rot_X_mZ_mY, Tr_0_0_0), SymOp(Rot_X_Z_Y, Tr_0_0_0), SymOp(Rot_mX_Z_mY, Tr_0_0_0), SymOp(Rot_mZ_mY_X, Tr_0_0_0), SymOp(Rot_mZ_Y_mX, Tr_0_0_0), SymOp(Rot_Z_mY_mX, Tr_0_0_0), SymOp(Rot_Z_Y_X, Tr_0_0_0)]) sg225 = SpaceGroup( number = 225, num_sym_equiv = 192, num_primitive_sym_equiv = 48, short_name = "Fm-3m", point_group_name = "PGm3barm", crystal_system = "CUBIC", pdb_name = "F 4/m -3 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_X_Z_mY, Tr_0_0_0), SymOp(Rot_mX_Z_Y, Tr_0_0_0), SymOp(Rot_mX_mZ_mY, Tr_0_0_0), SymOp(Rot_X_mZ_Y, Tr_0_0_0), SymOp(Rot_Z_Y_mX, Tr_0_0_0), SymOp(Rot_Z_mY_X, Tr_0_0_0), SymOp(Rot_mZ_Y_X, Tr_0_0_0), SymOp(Rot_mZ_mY_mX, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_X_Y, Tr_0_0_0), SymOp(Rot_Z_X_mY, Tr_0_0_0), SymOp(Rot_Z_mX_Y, Tr_0_0_0), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_X, Tr_0_0_0), SymOp(Rot_mY_Z_X, Tr_0_0_0), SymOp(Rot_Y_Z_mX, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mZ_Y, Tr_0_0_0), SymOp(Rot_X_mZ_mY, Tr_0_0_0), SymOp(Rot_X_Z_Y, Tr_0_0_0), SymOp(Rot_mX_Z_mY, Tr_0_0_0), SymOp(Rot_mZ_mY_X, Tr_0_0_0), SymOp(Rot_mZ_Y_mX, Tr_0_0_0), SymOp(Rot_Z_mY_mX, Tr_0_0_0), SymOp(Rot_Z_Y_X, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_Z_X_Y, Tr_0_12_12), SymOp(Rot_Z_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_12_12), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_0_12_12), SymOp(Rot_mY_mZ_X, Tr_0_12_12), SymOp(Rot_Y_X_mZ, Tr_0_12_12), SymOp(Rot_mY_mX_mZ, Tr_0_12_12), SymOp(Rot_Y_mX_Z, Tr_0_12_12), SymOp(Rot_mY_X_Z, Tr_0_12_12), SymOp(Rot_X_Z_mY, Tr_0_12_12), SymOp(Rot_mX_Z_Y, Tr_0_12_12), SymOp(Rot_mX_mZ_mY, Tr_0_12_12), SymOp(Rot_X_mZ_Y, Tr_0_12_12), SymOp(Rot_Z_Y_mX, Tr_0_12_12), SymOp(Rot_Z_mY_X, Tr_0_12_12), SymOp(Rot_mZ_Y_X, Tr_0_12_12), SymOp(Rot_mZ_mY_mX, Tr_0_12_12), SymOp(Rot_mX_mY_mZ, Tr_0_12_12), SymOp(Rot_X_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_0_12_12), SymOp(Rot_mZ_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_X_Y, Tr_0_12_12), SymOp(Rot_Z_X_mY, Tr_0_12_12), SymOp(Rot_Z_mX_Y, Tr_0_12_12), SymOp(Rot_mY_mZ_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_X, Tr_0_12_12), SymOp(Rot_mY_Z_X, Tr_0_12_12), SymOp(Rot_Y_Z_mX, Tr_0_12_12), SymOp(Rot_mY_mX_Z, Tr_0_12_12), SymOp(Rot_Y_X_Z, Tr_0_12_12), SymOp(Rot_mY_X_mZ, Tr_0_12_12), SymOp(Rot_Y_mX_mZ, Tr_0_12_12), SymOp(Rot_mX_mZ_Y, Tr_0_12_12), SymOp(Rot_X_mZ_mY, Tr_0_12_12), SymOp(Rot_X_Z_Y, Tr_0_12_12), SymOp(Rot_mX_Z_mY, Tr_0_12_12), SymOp(Rot_mZ_mY_X, Tr_0_12_12), SymOp(Rot_mZ_Y_mX, Tr_0_12_12), SymOp(Rot_Z_mY_mX, Tr_0_12_12), SymOp(Rot_Z_Y_X, Tr_0_12_12), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_Z_X_Y, Tr_12_0_12), SymOp(Rot_Z_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_12_0_12), SymOp(Rot_Y_Z_X, Tr_12_0_12), SymOp(Rot_mY_Z_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_mX, Tr_12_0_12), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_mZ, Tr_12_0_12), SymOp(Rot_mY_mX_mZ, Tr_12_0_12), SymOp(Rot_Y_mX_Z, Tr_12_0_12), SymOp(Rot_mY_X_Z, Tr_12_0_12), SymOp(Rot_X_Z_mY, Tr_12_0_12), SymOp(Rot_mX_Z_Y, Tr_12_0_12), SymOp(Rot_mX_mZ_mY, Tr_12_0_12), SymOp(Rot_X_mZ_Y, Tr_12_0_12), SymOp(Rot_Z_Y_mX, Tr_12_0_12), SymOp(Rot_Z_mY_X, Tr_12_0_12), SymOp(Rot_mZ_Y_X, Tr_12_0_12), SymOp(Rot_mZ_mY_mX, Tr_12_0_12), SymOp(Rot_mX_mY_mZ, Tr_12_0_12), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_Z, Tr_12_0_12), SymOp(Rot_mZ_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_X_Y, Tr_12_0_12), SymOp(Rot_Z_X_mY, Tr_12_0_12), SymOp(Rot_Z_mX_Y, Tr_12_0_12), SymOp(Rot_mY_mZ_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_X, Tr_12_0_12), SymOp(Rot_mY_Z_X, Tr_12_0_12), SymOp(Rot_Y_Z_mX, Tr_12_0_12), SymOp(Rot_mY_mX_Z, Tr_12_0_12), SymOp(Rot_Y_X_Z, Tr_12_0_12), SymOp(Rot_mY_X_mZ, Tr_12_0_12), SymOp(Rot_Y_mX_mZ, Tr_12_0_12), SymOp(Rot_mX_mZ_Y, Tr_12_0_12), SymOp(Rot_X_mZ_mY, Tr_12_0_12), SymOp(Rot_X_Z_Y, Tr_12_0_12), SymOp(Rot_mX_Z_mY, Tr_12_0_12), SymOp(Rot_mZ_mY_X, Tr_12_0_12), SymOp(Rot_mZ_Y_mX, Tr_12_0_12), SymOp(Rot_Z_mY_mX, Tr_12_0_12), SymOp(Rot_Z_Y_X, Tr_12_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_12_12_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_12_0), SymOp(Rot_mZ_X_mY, Tr_12_12_0), SymOp(Rot_Y_Z_X, Tr_12_12_0), SymOp(Rot_mY_Z_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_12_12_0), SymOp(Rot_mY_mX_mZ, Tr_12_12_0), SymOp(Rot_Y_mX_Z, Tr_12_12_0), SymOp(Rot_mY_X_Z, Tr_12_12_0), SymOp(Rot_X_Z_mY, Tr_12_12_0), SymOp(Rot_mX_Z_Y, Tr_12_12_0), SymOp(Rot_mX_mZ_mY, Tr_12_12_0), SymOp(Rot_X_mZ_Y, Tr_12_12_0), SymOp(Rot_Z_Y_mX, Tr_12_12_0), SymOp(Rot_Z_mY_X, Tr_12_12_0), SymOp(Rot_mZ_Y_X, Tr_12_12_0), SymOp(Rot_mZ_mY_mX, Tr_12_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mZ_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_X_Y, Tr_12_12_0), SymOp(Rot_Z_X_mY, Tr_12_12_0), SymOp(Rot_Z_mX_Y, Tr_12_12_0), SymOp(Rot_mY_mZ_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_X, Tr_12_12_0), SymOp(Rot_mY_Z_X, Tr_12_12_0), SymOp(Rot_Y_Z_mX, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_12_12_0), SymOp(Rot_Y_X_Z, Tr_12_12_0), SymOp(Rot_mY_X_mZ, Tr_12_12_0), SymOp(Rot_Y_mX_mZ, Tr_12_12_0), SymOp(Rot_mX_mZ_Y, Tr_12_12_0), SymOp(Rot_X_mZ_mY, Tr_12_12_0), SymOp(Rot_X_Z_Y, Tr_12_12_0), SymOp(Rot_mX_Z_mY, Tr_12_12_0), SymOp(Rot_mZ_mY_X, Tr_12_12_0), SymOp(Rot_mZ_Y_mX, Tr_12_12_0), SymOp(Rot_Z_mY_mX, Tr_12_12_0), SymOp(Rot_Z_Y_X, Tr_12_12_0)]) sg226 = SpaceGroup( number = 226, num_sym_equiv = 192, num_primitive_sym_equiv = 48, short_name = "Fm-3c", point_group_name = "PGm3barm", crystal_system = "CUBIC", pdb_name = "F 4/m -3 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_X_Z_mY, Tr_12_12_12), SymOp(Rot_mX_Z_Y, Tr_12_12_12), SymOp(Rot_mX_mZ_mY, Tr_12_12_12), SymOp(Rot_X_mZ_Y, Tr_12_12_12), SymOp(Rot_Z_Y_mX, Tr_12_12_12), SymOp(Rot_Z_mY_X, Tr_12_12_12), SymOp(Rot_mZ_Y_X, Tr_12_12_12), SymOp(Rot_mZ_mY_mX, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_X_Y, Tr_0_0_0), SymOp(Rot_Z_X_mY, Tr_0_0_0), SymOp(Rot_Z_mX_Y, Tr_0_0_0), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_X, Tr_0_0_0), SymOp(Rot_mY_Z_X, Tr_0_0_0), SymOp(Rot_Y_Z_mX, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_mZ_Y, Tr_12_12_12), SymOp(Rot_X_mZ_mY, Tr_12_12_12), SymOp(Rot_X_Z_Y, Tr_12_12_12), SymOp(Rot_mX_Z_mY, Tr_12_12_12), SymOp(Rot_mZ_mY_X, Tr_12_12_12), SymOp(Rot_mZ_Y_mX, Tr_12_12_12), SymOp(Rot_Z_mY_mX, Tr_12_12_12), SymOp(Rot_Z_Y_X, Tr_12_12_12), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_Z_X_Y, Tr_0_12_12), SymOp(Rot_Z_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_12_12), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_0_12_12), SymOp(Rot_mY_mZ_X, Tr_0_12_12), SymOp(Rot_Y_X_mZ, Tr_12_0_0), SymOp(Rot_mY_mX_mZ, Tr_12_0_0), SymOp(Rot_Y_mX_Z, Tr_12_0_0), SymOp(Rot_mY_X_Z, Tr_12_0_0), SymOp(Rot_X_Z_mY, Tr_12_0_0), SymOp(Rot_mX_Z_Y, Tr_12_0_0), SymOp(Rot_mX_mZ_mY, Tr_12_0_0), SymOp(Rot_X_mZ_Y, Tr_12_0_0), SymOp(Rot_Z_Y_mX, Tr_12_0_0), SymOp(Rot_Z_mY_X, Tr_12_0_0), SymOp(Rot_mZ_Y_X, Tr_12_0_0), SymOp(Rot_mZ_mY_mX, Tr_12_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_12_12), SymOp(Rot_X_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_0_12_12), SymOp(Rot_mZ_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_X_Y, Tr_0_12_12), SymOp(Rot_Z_X_mY, Tr_0_12_12), SymOp(Rot_Z_mX_Y, Tr_0_12_12), SymOp(Rot_mY_mZ_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_X, Tr_0_12_12), SymOp(Rot_mY_Z_X, Tr_0_12_12), SymOp(Rot_Y_Z_mX, Tr_0_12_12), SymOp(Rot_mY_mX_Z, Tr_12_0_0), SymOp(Rot_Y_X_Z, Tr_12_0_0), SymOp(Rot_mY_X_mZ, Tr_12_0_0), SymOp(Rot_Y_mX_mZ, Tr_12_0_0), SymOp(Rot_mX_mZ_Y, Tr_12_0_0), SymOp(Rot_X_mZ_mY, Tr_12_0_0), SymOp(Rot_X_Z_Y, Tr_12_0_0), SymOp(Rot_mX_Z_mY, Tr_12_0_0), SymOp(Rot_mZ_mY_X, Tr_12_0_0), SymOp(Rot_mZ_Y_mX, Tr_12_0_0), SymOp(Rot_Z_mY_mX, Tr_12_0_0), SymOp(Rot_Z_Y_X, Tr_12_0_0), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_Z_X_Y, Tr_12_0_12), SymOp(Rot_Z_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_12_0_12), SymOp(Rot_Y_Z_X, Tr_12_0_12), SymOp(Rot_mY_Z_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_mX, Tr_12_0_12), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_mZ, Tr_0_12_0), SymOp(Rot_mY_mX_mZ, Tr_0_12_0), SymOp(Rot_Y_mX_Z, Tr_0_12_0), SymOp(Rot_mY_X_Z, Tr_0_12_0), SymOp(Rot_X_Z_mY, Tr_0_12_0), SymOp(Rot_mX_Z_Y, Tr_0_12_0), SymOp(Rot_mX_mZ_mY, Tr_0_12_0), SymOp(Rot_X_mZ_Y, Tr_0_12_0), SymOp(Rot_Z_Y_mX, Tr_0_12_0), SymOp(Rot_Z_mY_X, Tr_0_12_0), SymOp(Rot_mZ_Y_X, Tr_0_12_0), SymOp(Rot_mZ_mY_mX, Tr_0_12_0), SymOp(Rot_mX_mY_mZ, Tr_12_0_12), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_Z, Tr_12_0_12), SymOp(Rot_mZ_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_X_Y, Tr_12_0_12), SymOp(Rot_Z_X_mY, Tr_12_0_12), SymOp(Rot_Z_mX_Y, Tr_12_0_12), SymOp(Rot_mY_mZ_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_X, Tr_12_0_12), SymOp(Rot_mY_Z_X, Tr_12_0_12), SymOp(Rot_Y_Z_mX, Tr_12_0_12), SymOp(Rot_mY_mX_Z, Tr_0_12_0), SymOp(Rot_Y_X_Z, Tr_0_12_0), SymOp(Rot_mY_X_mZ, Tr_0_12_0), SymOp(Rot_Y_mX_mZ, Tr_0_12_0), SymOp(Rot_mX_mZ_Y, Tr_0_12_0), SymOp(Rot_X_mZ_mY, Tr_0_12_0), SymOp(Rot_X_Z_Y, Tr_0_12_0), SymOp(Rot_mX_Z_mY, Tr_0_12_0), SymOp(Rot_mZ_mY_X, Tr_0_12_0), SymOp(Rot_mZ_Y_mX, Tr_0_12_0), SymOp(Rot_Z_mY_mX, Tr_0_12_0), SymOp(Rot_Z_Y_X, Tr_0_12_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_12_12_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_12_0), SymOp(Rot_mZ_X_mY, Tr_12_12_0), SymOp(Rot_Y_Z_X, Tr_12_12_0), SymOp(Rot_mY_Z_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_0_0_12), SymOp(Rot_Y_mX_Z, Tr_0_0_12), SymOp(Rot_mY_X_Z, Tr_0_0_12), SymOp(Rot_X_Z_mY, Tr_0_0_12), SymOp(Rot_mX_Z_Y, Tr_0_0_12), SymOp(Rot_mX_mZ_mY, Tr_0_0_12), SymOp(Rot_X_mZ_Y, Tr_0_0_12), SymOp(Rot_Z_Y_mX, Tr_0_0_12), SymOp(Rot_Z_mY_X, Tr_0_0_12), SymOp(Rot_mZ_Y_X, Tr_0_0_12), SymOp(Rot_mZ_mY_mX, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mZ_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_X_Y, Tr_12_12_0), SymOp(Rot_Z_X_mY, Tr_12_12_0), SymOp(Rot_Z_mX_Y, Tr_12_12_0), SymOp(Rot_mY_mZ_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_X, Tr_12_12_0), SymOp(Rot_mY_Z_X, Tr_12_12_0), SymOp(Rot_Y_Z_mX, Tr_12_12_0), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_12), SymOp(Rot_mY_X_mZ, Tr_0_0_12), SymOp(Rot_Y_mX_mZ, Tr_0_0_12), SymOp(Rot_mX_mZ_Y, Tr_0_0_12), SymOp(Rot_X_mZ_mY, Tr_0_0_12), SymOp(Rot_X_Z_Y, Tr_0_0_12), SymOp(Rot_mX_Z_mY, Tr_0_0_12), SymOp(Rot_mZ_mY_X, Tr_0_0_12), SymOp(Rot_mZ_Y_mX, Tr_0_0_12), SymOp(Rot_Z_mY_mX, Tr_0_0_12), SymOp(Rot_Z_Y_X, Tr_0_0_12)]) sg227 = SpaceGroup( number = 227, num_sym_equiv = 192, num_primitive_sym_equiv = 48, short_name = "Fd-3m", point_group_name = "PGm3barm", crystal_system = "CUBIC", pdb_name = "F 41/d -3 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_12), SymOp(Rot_mZ_X_mY, Tr_12_12_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_mX, Tr_12_0_12), SymOp(Rot_mY_mZ_X, Tr_0_12_12), SymOp(Rot_Y_X_mZ, Tr_34_14_34), SymOp(Rot_mY_mX_mZ, Tr_14_14_14), SymOp(Rot_Y_mX_Z, Tr_14_34_34), SymOp(Rot_mY_X_Z, Tr_34_34_14), SymOp(Rot_X_Z_mY, Tr_34_14_34), SymOp(Rot_mX_Z_Y, Tr_34_34_14), SymOp(Rot_mX_mZ_mY, Tr_14_14_14), SymOp(Rot_X_mZ_Y, Tr_14_34_34), SymOp(Rot_Z_Y_mX, Tr_34_14_34), SymOp(Rot_Z_mY_X, Tr_14_34_34), SymOp(Rot_mZ_Y_X, Tr_34_34_14), SymOp(Rot_mZ_mY_mX, Tr_14_14_14), SymOp(Rot_mX_mY_mZ, Tr_14_14_14), SymOp(Rot_X_Y_mZ, Tr_14_34_34), SymOp(Rot_X_mY_Z, Tr_34_34_14), SymOp(Rot_mX_Y_Z, Tr_34_14_34), SymOp(Rot_mZ_mX_mY, Tr_14_14_14), SymOp(Rot_mZ_X_Y, Tr_34_14_34), SymOp(Rot_Z_X_mY, Tr_14_34_34), SymOp(Rot_Z_mX_Y, Tr_34_34_14), SymOp(Rot_mY_mZ_mX, Tr_14_14_14), SymOp(Rot_Y_mZ_X, Tr_34_34_14), SymOp(Rot_mY_Z_X, Tr_34_14_34), SymOp(Rot_Y_Z_mX, Tr_14_34_34), SymOp(Rot_mY_mX_Z, Tr_12_0_12), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_0), SymOp(Rot_mX_mZ_Y, Tr_12_0_12), SymOp(Rot_X_mZ_mY, Tr_12_12_0), SymOp(Rot_X_Z_Y, Tr_0_0_0), SymOp(Rot_mX_Z_mY, Tr_0_12_12), SymOp(Rot_mZ_mY_X, Tr_12_0_12), SymOp(Rot_mZ_Y_mX, Tr_0_12_12), SymOp(Rot_Z_mY_mX, Tr_12_12_0), SymOp(Rot_Z_Y_X, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_0_12_12), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_12_0_12), SymOp(Rot_Y_Z_X, Tr_0_12_12), SymOp(Rot_mY_Z_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_34_34_14), SymOp(Rot_mY_mX_mZ, Tr_14_34_34), SymOp(Rot_Y_mX_Z, Tr_14_14_14), SymOp(Rot_mY_X_Z, Tr_34_14_34), SymOp(Rot_X_Z_mY, Tr_34_34_14), SymOp(Rot_mX_Z_Y, Tr_34_14_34), SymOp(Rot_mX_mZ_mY, Tr_14_34_34), SymOp(Rot_X_mZ_Y, Tr_14_14_14), SymOp(Rot_Z_Y_mX, Tr_34_34_14), SymOp(Rot_Z_mY_X, Tr_14_14_14), SymOp(Rot_mZ_Y_X, Tr_34_14_34), SymOp(Rot_mZ_mY_mX, Tr_14_34_34), SymOp(Rot_mX_mY_mZ, Tr_14_34_34), SymOp(Rot_X_Y_mZ, Tr_14_14_14), SymOp(Rot_X_mY_Z, Tr_34_14_34), SymOp(Rot_mX_Y_Z, Tr_34_34_14), SymOp(Rot_mZ_mX_mY, Tr_14_34_34), SymOp(Rot_mZ_X_Y, Tr_34_34_14), SymOp(Rot_Z_X_mY, Tr_14_14_14), SymOp(Rot_Z_mX_Y, Tr_34_14_34), SymOp(Rot_mY_mZ_mX, Tr_14_34_34), SymOp(Rot_Y_mZ_X, Tr_34_14_34), SymOp(Rot_mY_Z_X, Tr_34_34_14), SymOp(Rot_Y_Z_mX, Tr_14_14_14), SymOp(Rot_mY_mX_Z, Tr_12_12_0), SymOp(Rot_Y_X_Z, Tr_0_12_12), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_12_0_12), SymOp(Rot_mX_mZ_Y, Tr_12_12_0), SymOp(Rot_X_mZ_mY, Tr_12_0_12), SymOp(Rot_X_Z_Y, Tr_0_12_12), SymOp(Rot_mX_Z_mY, Tr_0_0_0), SymOp(Rot_mZ_mY_X, Tr_12_12_0), SymOp(Rot_mZ_Y_mX, Tr_0_0_0), SymOp(Rot_Z_mY_mX, Tr_12_0_12), SymOp(Rot_Z_Y_X, Tr_0_12_12), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_12_0_12), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_12_12_0), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_12_0_12), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_14_14_14), SymOp(Rot_mY_mX_mZ, Tr_34_14_34), SymOp(Rot_Y_mX_Z, Tr_34_34_14), SymOp(Rot_mY_X_Z, Tr_14_34_34), SymOp(Rot_X_Z_mY, Tr_14_14_14), SymOp(Rot_mX_Z_Y, Tr_14_34_34), SymOp(Rot_mX_mZ_mY, Tr_34_14_34), SymOp(Rot_X_mZ_Y, Tr_34_34_14), SymOp(Rot_Z_Y_mX, Tr_14_14_14), SymOp(Rot_Z_mY_X, Tr_34_34_14), SymOp(Rot_mZ_Y_X, Tr_14_34_34), SymOp(Rot_mZ_mY_mX, Tr_34_14_34), SymOp(Rot_mX_mY_mZ, Tr_34_14_34), SymOp(Rot_X_Y_mZ, Tr_34_34_14), SymOp(Rot_X_mY_Z, Tr_14_34_34), SymOp(Rot_mX_Y_Z, Tr_14_14_14), SymOp(Rot_mZ_mX_mY, Tr_34_14_34), SymOp(Rot_mZ_X_Y, Tr_14_14_14), SymOp(Rot_Z_X_mY, Tr_34_34_14), SymOp(Rot_Z_mX_Y, Tr_14_34_34), SymOp(Rot_mY_mZ_mX, Tr_34_14_34), SymOp(Rot_Y_mZ_X, Tr_14_34_34), SymOp(Rot_mY_Z_X, Tr_14_14_14), SymOp(Rot_Y_Z_mX, Tr_34_34_14), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_12_0_12), SymOp(Rot_mY_X_mZ, Tr_12_12_0), SymOp(Rot_Y_mX_mZ, Tr_0_12_12), SymOp(Rot_mX_mZ_Y, Tr_0_0_0), SymOp(Rot_X_mZ_mY, Tr_0_12_12), SymOp(Rot_X_Z_Y, Tr_12_0_12), SymOp(Rot_mX_Z_mY, Tr_12_12_0), SymOp(Rot_mZ_mY_X, Tr_0_0_0), SymOp(Rot_mZ_Y_mX, Tr_12_12_0), SymOp(Rot_Z_mY_mX, Tr_0_12_12), SymOp(Rot_Z_Y_X, Tr_12_0_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_Z_X_Y, Tr_12_12_0), SymOp(Rot_Z_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_12_12_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_12_12), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_mZ, Tr_14_34_34), SymOp(Rot_mY_mX_mZ, Tr_34_34_14), SymOp(Rot_Y_mX_Z, Tr_34_14_34), SymOp(Rot_mY_X_Z, Tr_14_14_14), SymOp(Rot_X_Z_mY, Tr_14_34_34), SymOp(Rot_mX_Z_Y, Tr_14_14_14), SymOp(Rot_mX_mZ_mY, Tr_34_34_14), SymOp(Rot_X_mZ_Y, Tr_34_14_34), SymOp(Rot_Z_Y_mX, Tr_14_34_34), SymOp(Rot_Z_mY_X, Tr_34_14_34), SymOp(Rot_mZ_Y_X, Tr_14_14_14), SymOp(Rot_mZ_mY_mX, Tr_34_34_14), SymOp(Rot_mX_mY_mZ, Tr_34_34_14), SymOp(Rot_X_Y_mZ, Tr_34_14_34), SymOp(Rot_X_mY_Z, Tr_14_14_14), SymOp(Rot_mX_Y_Z, Tr_14_34_34), SymOp(Rot_mZ_mX_mY, Tr_34_34_14), SymOp(Rot_mZ_X_Y, Tr_14_34_34), SymOp(Rot_Z_X_mY, Tr_34_14_34), SymOp(Rot_Z_mX_Y, Tr_14_14_14), SymOp(Rot_mY_mZ_mX, Tr_34_34_14), SymOp(Rot_Y_mZ_X, Tr_14_14_14), SymOp(Rot_mY_Z_X, Tr_14_34_34), SymOp(Rot_Y_Z_mX, Tr_34_14_34), SymOp(Rot_mY_mX_Z, Tr_0_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_0), SymOp(Rot_mY_X_mZ, Tr_12_0_12), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mZ_Y, Tr_0_12_12), SymOp(Rot_X_mZ_mY, Tr_0_0_0), SymOp(Rot_X_Z_Y, Tr_12_12_0), SymOp(Rot_mX_Z_mY, Tr_12_0_12), SymOp(Rot_mZ_mY_X, Tr_0_12_12), SymOp(Rot_mZ_Y_mX, Tr_12_0_12), SymOp(Rot_Z_mY_mX, Tr_0_0_0), SymOp(Rot_Z_Y_X, Tr_12_12_0)]) sg228 = SpaceGroup( number = 228, num_sym_equiv = 192, num_primitive_sym_equiv = 48, short_name = "Fd-3c", point_group_name = "PGm3barm", crystal_system = "CUBIC", pdb_name = "F 41/d -3 2/c", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_12_0_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_12), SymOp(Rot_mZ_X_mY, Tr_12_12_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_12_12_0), SymOp(Rot_Y_mZ_mX, Tr_12_0_12), SymOp(Rot_mY_mZ_X, Tr_0_12_12), SymOp(Rot_Y_X_mZ, Tr_34_14_34), SymOp(Rot_mY_mX_mZ, Tr_14_14_14), SymOp(Rot_Y_mX_Z, Tr_14_34_34), SymOp(Rot_mY_X_Z, Tr_34_34_14), SymOp(Rot_X_Z_mY, Tr_34_14_34), SymOp(Rot_mX_Z_Y, Tr_34_34_14), SymOp(Rot_mX_mZ_mY, Tr_14_14_14), SymOp(Rot_X_mZ_Y, Tr_14_34_34), SymOp(Rot_Z_Y_mX, Tr_34_14_34), SymOp(Rot_Z_mY_X, Tr_14_34_34), SymOp(Rot_mZ_Y_X, Tr_34_34_14), SymOp(Rot_mZ_mY_mX, Tr_14_14_14), SymOp(Rot_mX_mY_mZ, Tr_34_34_34), SymOp(Rot_X_Y_mZ, Tr_34_14_14), SymOp(Rot_X_mY_Z, Tr_14_14_34), SymOp(Rot_mX_Y_Z, Tr_14_34_14), SymOp(Rot_mZ_mX_mY, Tr_34_34_34), SymOp(Rot_mZ_X_Y, Tr_14_34_14), SymOp(Rot_Z_X_mY, Tr_34_14_14), SymOp(Rot_Z_mX_Y, Tr_14_14_34), SymOp(Rot_mY_mZ_mX, Tr_34_34_34), SymOp(Rot_Y_mZ_X, Tr_14_14_34), SymOp(Rot_mY_Z_X, Tr_14_34_14), SymOp(Rot_Y_Z_mX, Tr_34_14_14), SymOp(Rot_mY_mX_Z, Tr_0_12_0), SymOp(Rot_Y_X_Z, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_12), SymOp(Rot_mX_mZ_Y, Tr_0_12_0), SymOp(Rot_X_mZ_mY, Tr_0_0_12), SymOp(Rot_X_Z_Y, Tr_12_12_12), SymOp(Rot_mX_Z_mY, Tr_12_0_0), SymOp(Rot_mZ_mY_X, Tr_0_12_0), SymOp(Rot_mZ_Y_mX, Tr_12_0_0), SymOp(Rot_Z_mY_mX, Tr_0_0_12), SymOp(Rot_Z_Y_X, Tr_12_12_12), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_0_12_12), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_12_0_12), SymOp(Rot_Y_Z_X, Tr_0_12_12), SymOp(Rot_mY_Z_mX, Tr_12_0_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_34_34_14), SymOp(Rot_mY_mX_mZ, Tr_14_34_34), SymOp(Rot_Y_mX_Z, Tr_14_14_14), SymOp(Rot_mY_X_Z, Tr_34_14_34), SymOp(Rot_X_Z_mY, Tr_34_34_14), SymOp(Rot_mX_Z_Y, Tr_34_14_34), SymOp(Rot_mX_mZ_mY, Tr_14_34_34), SymOp(Rot_X_mZ_Y, Tr_14_14_14), SymOp(Rot_Z_Y_mX, Tr_34_34_14), SymOp(Rot_Z_mY_X, Tr_14_14_14), SymOp(Rot_mZ_Y_X, Tr_34_14_34), SymOp(Rot_mZ_mY_mX, Tr_14_34_34), SymOp(Rot_mX_mY_mZ, Tr_34_14_14), SymOp(Rot_X_Y_mZ, Tr_34_34_34), SymOp(Rot_X_mY_Z, Tr_14_34_14), SymOp(Rot_mX_Y_Z, Tr_14_14_34), SymOp(Rot_mZ_mX_mY, Tr_34_14_14), SymOp(Rot_mZ_X_Y, Tr_14_14_34), SymOp(Rot_Z_X_mY, Tr_34_34_34), SymOp(Rot_Z_mX_Y, Tr_14_34_14), SymOp(Rot_mY_mZ_mX, Tr_34_14_14), SymOp(Rot_Y_mZ_X, Tr_14_34_14), SymOp(Rot_mY_Z_X, Tr_14_14_34), SymOp(Rot_Y_Z_mX, Tr_34_34_34), SymOp(Rot_mY_mX_Z, Tr_0_0_12), SymOp(Rot_Y_X_Z, Tr_12_0_0), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_0_12_0), SymOp(Rot_mX_mZ_Y, Tr_0_0_12), SymOp(Rot_X_mZ_mY, Tr_0_12_0), SymOp(Rot_X_Z_Y, Tr_12_0_0), SymOp(Rot_mX_Z_mY, Tr_12_12_12), SymOp(Rot_mZ_mY_X, Tr_0_0_12), SymOp(Rot_mZ_Y_mX, Tr_12_12_12), SymOp(Rot_Z_mY_mX, Tr_0_12_0), SymOp(Rot_Z_Y_X, Tr_12_0_0), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_12_0_12), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_12_12_0), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_12_0_12), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_12_12_0), SymOp(Rot_Y_X_mZ, Tr_14_14_14), SymOp(Rot_mY_mX_mZ, Tr_34_14_34), SymOp(Rot_Y_mX_Z, Tr_34_34_14), SymOp(Rot_mY_X_Z, Tr_14_34_34), SymOp(Rot_X_Z_mY, Tr_14_14_14), SymOp(Rot_mX_Z_Y, Tr_14_34_34), SymOp(Rot_mX_mZ_mY, Tr_34_14_34), SymOp(Rot_X_mZ_Y, Tr_34_34_14), SymOp(Rot_Z_Y_mX, Tr_14_14_14), SymOp(Rot_Z_mY_X, Tr_34_34_14), SymOp(Rot_mZ_Y_X, Tr_14_34_34), SymOp(Rot_mZ_mY_mX, Tr_34_14_34), SymOp(Rot_mX_mY_mZ, Tr_14_34_14), SymOp(Rot_X_Y_mZ, Tr_14_14_34), SymOp(Rot_X_mY_Z, Tr_34_14_14), SymOp(Rot_mX_Y_Z, Tr_34_34_34), SymOp(Rot_mZ_mX_mY, Tr_14_34_14), SymOp(Rot_mZ_X_Y, Tr_34_34_34), SymOp(Rot_Z_X_mY, Tr_14_14_34), SymOp(Rot_Z_mX_Y, Tr_34_14_14), SymOp(Rot_mY_mZ_mX, Tr_14_34_14), SymOp(Rot_Y_mZ_X, Tr_34_14_14), SymOp(Rot_mY_Z_X, Tr_34_34_34), SymOp(Rot_Y_Z_mX, Tr_14_14_34), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_0_12_0), SymOp(Rot_mY_X_mZ, Tr_0_0_12), SymOp(Rot_Y_mX_mZ, Tr_12_0_0), SymOp(Rot_mX_mZ_Y, Tr_12_12_12), SymOp(Rot_X_mZ_mY, Tr_12_0_0), SymOp(Rot_X_Z_Y, Tr_0_12_0), SymOp(Rot_mX_Z_mY, Tr_0_0_12), SymOp(Rot_mZ_mY_X, Tr_12_12_12), SymOp(Rot_mZ_Y_mX, Tr_0_0_12), SymOp(Rot_Z_mY_mX, Tr_12_0_0), SymOp(Rot_Z_Y_X, Tr_0_12_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_Z_X_Y, Tr_12_12_0), SymOp(Rot_Z_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_12_12_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_12_12), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_mZ, Tr_14_34_34), SymOp(Rot_mY_mX_mZ, Tr_34_34_14), SymOp(Rot_Y_mX_Z, Tr_34_14_34), SymOp(Rot_mY_X_Z, Tr_14_14_14), SymOp(Rot_X_Z_mY, Tr_14_34_34), SymOp(Rot_mX_Z_Y, Tr_14_14_14), SymOp(Rot_mX_mZ_mY, Tr_34_34_14), SymOp(Rot_X_mZ_Y, Tr_34_14_34), SymOp(Rot_Z_Y_mX, Tr_14_34_34), SymOp(Rot_Z_mY_X, Tr_34_14_34), SymOp(Rot_mZ_Y_X, Tr_14_14_14), SymOp(Rot_mZ_mY_mX, Tr_34_34_14), SymOp(Rot_mX_mY_mZ, Tr_14_14_34), SymOp(Rot_X_Y_mZ, Tr_14_34_14), SymOp(Rot_X_mY_Z, Tr_34_34_34), SymOp(Rot_mX_Y_Z, Tr_34_14_14), SymOp(Rot_mZ_mX_mY, Tr_14_14_34), SymOp(Rot_mZ_X_Y, Tr_34_14_14), SymOp(Rot_Z_X_mY, Tr_14_34_14), SymOp(Rot_Z_mX_Y, Tr_34_34_34), SymOp(Rot_mY_mZ_mX, Tr_14_14_34), SymOp(Rot_Y_mZ_X, Tr_34_34_34), SymOp(Rot_mY_Z_X, Tr_34_14_14), SymOp(Rot_Y_Z_mX, Tr_14_34_14), SymOp(Rot_mY_mX_Z, Tr_12_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_12), SymOp(Rot_mY_X_mZ, Tr_0_12_0), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_mZ_Y, Tr_12_0_0), SymOp(Rot_X_mZ_mY, Tr_12_12_12), SymOp(Rot_X_Z_Y, Tr_0_0_12), SymOp(Rot_mX_Z_mY, Tr_0_12_0), SymOp(Rot_mZ_mY_X, Tr_12_0_0), SymOp(Rot_mZ_Y_mX, Tr_0_12_0), SymOp(Rot_Z_mY_mX, Tr_12_12_12), SymOp(Rot_Z_Y_X, Tr_0_0_12)]) sg229 = SpaceGroup( number = 229, num_sym_equiv = 96, num_primitive_sym_equiv = 48, short_name = "Im-3m", point_group_name = "PGm3barm", crystal_system = "CUBIC", pdb_name = "I 4/m -3 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_0_0_0), SymOp(Rot_mZ_X_mY, Tr_0_0_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_0_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_0), SymOp(Rot_mY_mX_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_Z, Tr_0_0_0), SymOp(Rot_mY_X_Z, Tr_0_0_0), SymOp(Rot_X_Z_mY, Tr_0_0_0), SymOp(Rot_mX_Z_Y, Tr_0_0_0), SymOp(Rot_mX_mZ_mY, Tr_0_0_0), SymOp(Rot_X_mZ_Y, Tr_0_0_0), SymOp(Rot_Z_Y_mX, Tr_0_0_0), SymOp(Rot_Z_mY_X, Tr_0_0_0), SymOp(Rot_mZ_Y_X, Tr_0_0_0), SymOp(Rot_mZ_mY_mX, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_X_Y, Tr_0_0_0), SymOp(Rot_Z_X_mY, Tr_0_0_0), SymOp(Rot_Z_mX_Y, Tr_0_0_0), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_X, Tr_0_0_0), SymOp(Rot_mY_Z_X, Tr_0_0_0), SymOp(Rot_Y_Z_mX, Tr_0_0_0), SymOp(Rot_mY_mX_Z, Tr_0_0_0), SymOp(Rot_Y_X_Z, Tr_0_0_0), SymOp(Rot_mY_X_mZ, Tr_0_0_0), SymOp(Rot_Y_mX_mZ, Tr_0_0_0), SymOp(Rot_mX_mZ_Y, Tr_0_0_0), SymOp(Rot_X_mZ_mY, Tr_0_0_0), SymOp(Rot_X_Z_Y, Tr_0_0_0), SymOp(Rot_mX_Z_mY, Tr_0_0_0), SymOp(Rot_mZ_mY_X, Tr_0_0_0), SymOp(Rot_mZ_Y_mX, Tr_0_0_0), SymOp(Rot_Z_mY_mX, Tr_0_0_0), SymOp(Rot_Z_Y_X, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_Z_X_Y, Tr_12_12_12), SymOp(Rot_Z_mX_mY, Tr_12_12_12), SymOp(Rot_mZ_mX_Y, Tr_12_12_12), SymOp(Rot_mZ_X_mY, Tr_12_12_12), SymOp(Rot_Y_Z_X, Tr_12_12_12), SymOp(Rot_mY_Z_mX, Tr_12_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_12), SymOp(Rot_mY_mZ_X, Tr_12_12_12), SymOp(Rot_Y_X_mZ, Tr_12_12_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_Z, Tr_12_12_12), SymOp(Rot_mY_X_Z, Tr_12_12_12), SymOp(Rot_X_Z_mY, Tr_12_12_12), SymOp(Rot_mX_Z_Y, Tr_12_12_12), SymOp(Rot_mX_mZ_mY, Tr_12_12_12), SymOp(Rot_X_mZ_Y, Tr_12_12_12), SymOp(Rot_Z_Y_mX, Tr_12_12_12), SymOp(Rot_Z_mY_X, Tr_12_12_12), SymOp(Rot_mZ_Y_X, Tr_12_12_12), SymOp(Rot_mZ_mY_mX, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12), SymOp(Rot_X_mY_Z, Tr_12_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_12), SymOp(Rot_mZ_mX_mY, Tr_12_12_12), SymOp(Rot_mZ_X_Y, Tr_12_12_12), SymOp(Rot_Z_X_mY, Tr_12_12_12), SymOp(Rot_Z_mX_Y, Tr_12_12_12), SymOp(Rot_mY_mZ_mX, Tr_12_12_12), SymOp(Rot_Y_mZ_X, Tr_12_12_12), SymOp(Rot_mY_Z_X, Tr_12_12_12), SymOp(Rot_Y_Z_mX, Tr_12_12_12), SymOp(Rot_mY_mX_Z, Tr_12_12_12), SymOp(Rot_Y_X_Z, Tr_12_12_12), SymOp(Rot_mY_X_mZ, Tr_12_12_12), SymOp(Rot_Y_mX_mZ, Tr_12_12_12), SymOp(Rot_mX_mZ_Y, Tr_12_12_12), SymOp(Rot_X_mZ_mY, Tr_12_12_12), SymOp(Rot_X_Z_Y, Tr_12_12_12), SymOp(Rot_mX_Z_mY, Tr_12_12_12), SymOp(Rot_mZ_mY_X, Tr_12_12_12), SymOp(Rot_mZ_Y_mX, Tr_12_12_12), SymOp(Rot_Z_mY_mX, Tr_12_12_12), SymOp(Rot_Z_Y_X, Tr_12_12_12)]) sg230 = SpaceGroup( number = 230, num_sym_equiv = 96, num_primitive_sym_equiv = 48, short_name = "Ia-3d", point_group_name = "PGm3barm", crystal_system = "CUBIC", pdb_name = "I 41/a -3 2/d", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_Z_mX_mY, Tr_12_12_0), SymOp(Rot_mZ_mX_Y, Tr_12_0_12), SymOp(Rot_mZ_X_mY, Tr_0_12_12), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_Z_mX, Tr_0_12_12), SymOp(Rot_Y_mZ_mX, Tr_12_12_0), SymOp(Rot_mY_mZ_X, Tr_12_0_12), SymOp(Rot_Y_X_mZ, Tr_34_14_14), SymOp(Rot_mY_mX_mZ, Tr_34_34_34), SymOp(Rot_Y_mX_Z, Tr_14_14_34), SymOp(Rot_mY_X_Z, Tr_14_34_14), SymOp(Rot_X_Z_mY, Tr_34_14_14), SymOp(Rot_mX_Z_Y, Tr_14_34_14), SymOp(Rot_mX_mZ_mY, Tr_34_34_34), SymOp(Rot_X_mZ_Y, Tr_14_14_34), SymOp(Rot_Z_Y_mX, Tr_34_14_14), SymOp(Rot_Z_mY_X, Tr_14_14_34), SymOp(Rot_mZ_Y_X, Tr_14_34_14), SymOp(Rot_mZ_mY_mX, Tr_34_34_34), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_Z, Tr_0_12_12), SymOp(Rot_mX_Y_Z, Tr_12_12_0), SymOp(Rot_mZ_mX_mY, Tr_0_0_0), SymOp(Rot_mZ_X_Y, Tr_12_12_0), SymOp(Rot_Z_X_mY, Tr_12_0_12), SymOp(Rot_Z_mX_Y, Tr_0_12_12), SymOp(Rot_mY_mZ_mX, Tr_0_0_0), SymOp(Rot_Y_mZ_X, Tr_0_12_12), SymOp(Rot_mY_Z_X, Tr_12_12_0), SymOp(Rot_Y_Z_mX, Tr_12_0_12), SymOp(Rot_mY_mX_Z, Tr_14_34_34), SymOp(Rot_Y_X_Z, Tr_14_14_14), SymOp(Rot_mY_X_mZ, Tr_34_34_14), SymOp(Rot_Y_mX_mZ, Tr_34_14_34), SymOp(Rot_mX_mZ_Y, Tr_14_34_34), SymOp(Rot_X_mZ_mY, Tr_34_14_34), SymOp(Rot_X_Z_Y, Tr_14_14_14), SymOp(Rot_mX_Z_mY, Tr_34_34_14), SymOp(Rot_mZ_mY_X, Tr_14_34_34), SymOp(Rot_mZ_Y_mX, Tr_34_34_14), SymOp(Rot_Z_mY_mX, Tr_34_14_34), SymOp(Rot_Z_Y_X, Tr_14_14_14), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_Z_X_Y, Tr_12_12_12), SymOp(Rot_Z_mX_mY, Tr_0_0_12), SymOp(Rot_mZ_mX_Y, Tr_0_12_0), SymOp(Rot_mZ_X_mY, Tr_12_0_0), SymOp(Rot_Y_Z_X, Tr_12_12_12), SymOp(Rot_mY_Z_mX, Tr_12_0_0), SymOp(Rot_Y_mZ_mX, Tr_0_0_12), SymOp(Rot_mY_mZ_X, Tr_0_12_0), SymOp(Rot_Y_X_mZ, Tr_14_34_34), SymOp(Rot_mY_mX_mZ, Tr_14_14_14), SymOp(Rot_Y_mX_Z, Tr_34_34_14), SymOp(Rot_mY_X_Z, Tr_34_14_34), SymOp(Rot_X_Z_mY, Tr_14_34_34), SymOp(Rot_mX_Z_Y, Tr_34_14_34), SymOp(Rot_mX_mZ_mY, Tr_14_14_14), SymOp(Rot_X_mZ_Y, Tr_34_34_14), SymOp(Rot_Z_Y_mX, Tr_14_34_34), SymOp(Rot_Z_mY_X, Tr_34_34_14), SymOp(Rot_mZ_Y_X, Tr_34_14_34), SymOp(Rot_mZ_mY_mX, Tr_14_14_14), SymOp(Rot_mX_mY_mZ, Tr_12_12_12), SymOp(Rot_X_Y_mZ, Tr_0_12_0), SymOp(Rot_X_mY_Z, Tr_12_0_0), SymOp(Rot_mX_Y_Z, Tr_0_0_12), SymOp(Rot_mZ_mX_mY, Tr_12_12_12), SymOp(Rot_mZ_X_Y, Tr_0_0_12), SymOp(Rot_Z_X_mY, Tr_0_12_0), SymOp(Rot_Z_mX_Y, Tr_12_0_0), SymOp(Rot_mY_mZ_mX, Tr_12_12_12), SymOp(Rot_Y_mZ_X, Tr_12_0_0), SymOp(Rot_mY_Z_X, Tr_0_0_12), SymOp(Rot_Y_Z_mX, Tr_0_12_0), SymOp(Rot_mY_mX_Z, Tr_34_14_14), SymOp(Rot_Y_X_Z, Tr_34_34_34), SymOp(Rot_mY_X_mZ, Tr_14_14_34), SymOp(Rot_Y_mX_mZ, Tr_14_34_14), SymOp(Rot_mX_mZ_Y, Tr_34_14_14), SymOp(Rot_X_mZ_mY, Tr_14_34_14), SymOp(Rot_X_Z_Y, Tr_34_34_34), SymOp(Rot_mX_Z_mY, Tr_14_14_34), SymOp(Rot_mZ_mY_X, Tr_34_14_14), SymOp(Rot_mZ_Y_mX, Tr_14_14_34), SymOp(Rot_Z_mY_mX, Tr_14_34_14), SymOp(Rot_Z_Y_X, Tr_34_34_34)]) sg1003 = SpaceGroup( number = 1003, num_sym_equiv = 2, num_primitive_sym_equiv = 2, short_name = "P2", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "P 1 1 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0)]) sg1004 = SpaceGroup( number = 1004, num_sym_equiv = 2, num_primitive_sym_equiv = 2, short_name = "P1121", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "P 1 1 21", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12)]) sg3004 = SpaceGroup( number = 3004, num_sym_equiv = 4, num_primitive_sym_equiv = 2, short_name = "I21", point_group_name = "PG2", crystal_system = "MONOCLINIC", pdb_name = "I 1 21 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12)]) sg1005 = SpaceGroup( number = 1005, num_sym_equiv = 4, num_primitive_sym_equiv = 2, short_name = "B2", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "B 1 1 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12)]) sg2005 = SpaceGroup( number = 2005, num_sym_equiv = 4, num_primitive_sym_equiv = 2, short_name = "A2", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "A 2 1 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12)]) sg3005 = SpaceGroup( number = 3005, num_sym_equiv = 4, num_primitive_sym_equiv = 2, short_name = "C21", point_group_name = "PG2", crystal_system = "MONOCLINIC", pdb_name = "C 1 21 1", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_0)]) sg1006 = SpaceGroup( number = 1006, num_sym_equiv = 2, num_primitive_sym_equiv = 2, short_name = "P11m", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "P 1 1 m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0)]) sg1007 = SpaceGroup( number = 1007, num_sym_equiv = 2, num_primitive_sym_equiv = 2, short_name = "P11b", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "P 1 1 b", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_12_0)]) sg1008 = SpaceGroup( number = 1008, num_sym_equiv = 4, num_primitive_sym_equiv = 2, short_name = "B11m", point_group_name = "PG2", crystal_system = "MONOCLINIC", pdb_name = "B 1 1 m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_mY_Z, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_12_12_0)]) sg1009 = SpaceGroup( number = 1009, num_sym_equiv = 4, num_primitive_sym_equiv = 2, short_name = "B11b", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "B 1 1 b", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_12_0), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12)]) sg1010 = SpaceGroup( number = 1010, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P112/m", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "P 1 1 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0)]) sg1011 = SpaceGroup( number = 1011, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P1121/m", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "P 1 1 21/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_12)]) sg1012 = SpaceGroup( number = 1012, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "B112/m", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "B 1 1 2/m", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_X_Y_mZ, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_mX_mY_mZ, Tr_12_0_12)]) sg1013 = SpaceGroup( number = 1013, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P112/b", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "P 1 1 2/b", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_12_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_12_0)]) sg1014 = SpaceGroup( number = 1014, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P1121/b", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "P 1 1 21/b", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_X_Y_mZ, Tr_0_12_12)]) sg1015 = SpaceGroup( number = 1015, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "B112/b", point_group_name = "PG2C", crystal_system = "MONOCLINIC", pdb_name = "B 1 1 2/b", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_0_12_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_0_12_0), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_12_12), SymOp(Rot_mX_mY_mZ, Tr_12_0_12), SymOp(Rot_X_Y_mZ, Tr_12_12_12)]) sg1017 = SpaceGroup( number = 1017, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P2122", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21 2 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_12_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_0)]) sg2017 = SpaceGroup( number = 2017, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P2212", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "P 2 21 2", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_12_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0)]) sg1018 = SpaceGroup( number = 1018, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P21212a", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21 21 2 (a)", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0)]) sg2018 = SpaceGroup( number = 2018, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P21221", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21 2 21", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12)]) sg3018 = SpaceGroup( number = 3018, num_sym_equiv = 4, num_primitive_sym_equiv = 4, short_name = "P22121", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "P 2 21 21", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12)]) sg1020 = SpaceGroup( number = 1020, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "C2221a", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "C 2 2 21a)", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_0_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_12)]) sg1021 = SpaceGroup( number = 1021, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "C222a", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "C 2 2 2a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_0)]) sg1022 = SpaceGroup( number = 1022, num_sym_equiv = 16, num_primitive_sym_equiv = 4, short_name = "F222a", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "F 2 2 2a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_X_Y_Z, Tr_0_12_12), SymOp(Rot_mX_mY_Z, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_12_12_12), SymOp(Rot_mX_Y_mZ, Tr_0_0_12), SymOp(Rot_X_Y_Z, Tr_12_0_12), SymOp(Rot_mX_mY_Z, Tr_0_12_12), SymOp(Rot_X_mY_mZ, Tr_0_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_12_12), SymOp(Rot_X_Y_Z, Tr_12_12_0), SymOp(Rot_mX_mY_Z, Tr_0_0_0), SymOp(Rot_X_mY_mZ, Tr_0_12_0), SymOp(Rot_mX_Y_mZ, Tr_12_0_0)]) sg1023 = SpaceGroup( number = 1023, num_sym_equiv = 8, num_primitive_sym_equiv = 4, short_name = "I222a", point_group_name = "PG222", crystal_system = "ORTHORHOMBIC", pdb_name = "I 2 2 2a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12)]) sg1059 = SpaceGroup( number = 1059, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "Pmmn2", point_group_name = "PGmmm", crystal_system = "ORTHORHOMBIC", pdb_name = "P 21/m 21/m 2/n", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_X_mY_mZ, Tr_12_0_0), SymOp(Rot_mX_mY_mZ, Tr_0_0_0), SymOp(Rot_X_Y_mZ, Tr_12_12_0), SymOp(Rot_X_mY_Z, Tr_0_12_0), SymOp(Rot_mX_Y_Z, Tr_12_0_0)]) sg1094 = SpaceGroup( number = 1094, num_sym_equiv = 8, num_primitive_sym_equiv = 8, short_name = "P42212a", point_group_name = "PG422", crystal_system = "TETRAGONAL", pdb_name = "P 42 21 2a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_mY_X_Z, Tr_0_12_12), SymOp(Rot_Y_mX_Z, Tr_12_0_12), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_X_mY_mZ, Tr_12_0_0), SymOp(Rot_Y_X_mZ, Tr_0_0_12), SymOp(Rot_mY_mX_mZ, Tr_12_12_12)]) sg1197 = SpaceGroup( number = 1197, num_sym_equiv = 24, num_primitive_sym_equiv = 12, short_name = "I23a", point_group_name = "PG23", crystal_system = "CUBIC", pdb_name = "I 2 3a", symop_list = [ SymOp(Rot_X_Y_Z, Tr_0_0_0), SymOp(Rot_mX_mY_Z, Tr_12_12_0), SymOp(Rot_X_mY_mZ, Tr_12_0_0), SymOp(Rot_mX_Y_mZ, Tr_0_12_0), SymOp(Rot_Y_Z_X, Tr_0_0_0), SymOp(Rot_mY_mZ_X, Tr_12_12_0), SymOp(Rot_Y_mZ_mX, Tr_12_0_0), SymOp(Rot_mY_Z_mX, Tr_0_12_0), SymOp(Rot_Z_X_Y, Tr_0_0_0), SymOp(Rot_mZ_mX_Y, Tr_12_12_0), SymOp(Rot_Z_mX_mY, Tr_12_0_0), SymOp(Rot_mZ_X_mY, Tr_0_12_0), SymOp(Rot_X_Y_Z, Tr_12_12_12), SymOp(Rot_mX_mY_Z, Tr_0_0_12), SymOp(Rot_X_mY_mZ, Tr_0_12_12), SymOp(Rot_mX_Y_mZ, Tr_12_0_12), SymOp(Rot_Y_Z_X, Tr_12_12_12), SymOp(Rot_mY_mZ_X, Tr_0_0_12), SymOp(Rot_Y_mZ_mX, Tr_0_12_12), SymOp(Rot_mY_Z_mX, Tr_12_0_12), SymOp(Rot_Z_X_Y, Tr_12_12_12), SymOp(Rot_mZ_mX_Y, Tr_0_0_12), SymOp(Rot_Z_mX_mY, Tr_0_12_12), SymOp(Rot_mZ_X_mY, Tr_12_0_12)]) ## list of the space groups SpaceGroupList = [ sg1, sg2, sg3, sg4, sg5, sg6, sg7, sg8, sg9, sg10, sg11, sg12, sg13, sg14, sg15, sg16, sg17, sg18, sg19, sg20, sg21, sg22, sg23, sg24, sg25, sg26, sg27, sg28, sg29, sg30, sg31, sg32, sg33, sg34, sg35, sg36, sg37, sg38, sg39, sg40, sg41, sg42, sg43, sg44, sg45, sg46, sg47, sg48, sg49, sg50, sg51, sg52, sg53, sg54, sg55, sg56, sg57, sg58, sg59, sg60, sg61, sg62, sg63, sg64, sg65, sg66, sg67, sg68, sg69, sg70, sg71, sg72, sg73, sg74, sg75, sg76, sg77, sg78, sg79, sg80, sg81, sg82, sg83, sg84, sg85, sg86, sg87, sg88, sg89, sg90, sg91, sg92, sg93, sg94, sg95, sg96, sg97, sg98, sg99, sg100, sg101, sg102, sg103, sg104, sg105, sg106, sg107, sg108, sg109, sg110, sg111, sg112, sg113, sg114, sg115, sg116, sg117, sg118, sg119, sg120, sg121, sg122, sg123, sg124, sg125, sg126, sg127, sg128, sg129, sg130, sg131, sg132, sg133, sg134, sg135, sg136, sg137, sg138, sg139, sg140, sg141, sg142, sg143, sg144, sg145, sg146, sg1146, sg147, sg148, sg1148, sg149, sg150, sg151, sg152, sg153, sg154, sg155, sg1155, sg156, sg157, sg158, sg159, sg160, sg1160, sg161, sg1161, sg162, sg163, sg164, sg165, sg166, sg1166, sg167, sg1167, sg168, sg169, sg170, sg171, sg172, sg173, sg174, sg175, sg176, sg177, sg178, sg179, sg180, sg181, sg182, sg183, sg184, sg185, sg186, sg187, sg188, sg189, sg190, sg191, sg192, sg193, sg194, sg195, sg196, sg197, sg198, sg199, sg200, sg201, sg202, sg203, sg204, sg205, sg206, sg207, sg208, sg209, sg210, sg211, sg212, sg213, sg214, sg215, sg216, sg217, sg218, sg219, sg220, sg221, sg222, sg223, sg224, sg225, sg226, sg227, sg228, sg229, sg230, sg1003, sg1004, sg3004, sg1005, sg2005, sg3005, sg1006, sg1007, sg1008, sg1009, sg1010, sg1011, sg1012, sg1013, sg1014, sg1015, sg1017, sg2017, sg1018, sg2018, sg3018, sg1020, sg1021, sg1022, sg1023, sg1059, sg1094, sg1197] def GetSpaceGroup(name): """Returns the SpaceGroup instance for the given name. If the space group is not found, return the P1 space group as default. """ for sg in SpaceGroupList: if sg.check_group_name(name): return sg warning("GetSpaceGroup('%s') not found" % (name)) ## return P1 return sg1 ### if __name__ == "__main__": pass ###