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International
Tables for Crystallography Volume G Definition and exchange of crystallographic data Edited by J. R. Hester and B. McMahon © International Union of Crystallography 2026 |
International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011 Chapter 4.2 Core dictionary (coreCIF) |
Core dictionary version 3.3.0
_atom_type.number_in_cell
Name:_atom_type.number_in_cell
Alias:
_atom_type_number_in_cell
Definition:
Total number of atoms of this atom type in the unit cell.
Type: Real
Units: none
The permitted range is 0.0 → infinity
Evaluation method:
With t as atom_type
cnt = 0.
Loop a as atom_site {
if ( a.type_symbol == t.symbol ) {
cnt += a.occupancy * a.site_symmetry_multiplicity
} }
_atom_type.number_in_cell = cnt
Category:
atom_type
