International
Tables for
Crystallography
Volume G
Definition and exchange of crystallographic data
Edited by J. R. Hester and B. McMahon

International Tables for Crystallography (2026). Vol. G. Early view chapter
https://doi.org/10.1107/97809553602060001011

Chapter 4.2 Core dictionary (coreCIF)


Index

Core dictionary version 3.3.0

_function.Symop

Name:
_function.Symop

Definition:

   
    The function
              s  =  Symop( n, t )

    returns a character string of the form 'n_pqr' where n is the
    symmetry equivalent site number and [p,q,r] is the cell translation
    vector plus [5,5,5].

Type: Symop

Evaluation method:

    Function Symop( n  :[Single, Integer],   # symmetry equivalent site number
                    t  :[List  , Integer]) { # cell translation vector

           d  =  t + 5
        Symop =  repr(n) + '_' + repr(d[0]) + repr(d[1]) + repr(d[2])
    }

Category:
function








































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