checkCIF procedure

PLAT700


PLAT700 Type_1 Test for the use of the superseded _atom_site_symmetry_multiplicity name
 
 Use of this data name is depricated because of inconsistencies in practice
 among structure refinement software packages reporting atom site
 multiplicity. The number of positions given for the Wyckoff site in
 International Tables for Crystallography Vol A (2002), nwyck, should now be
 expressed using the data name '_atom_site_site_symmetry_multiplicity'. 
 Programs such as SHELXL and OLEX2 list values nsym / nwyck, where 'nsym' is
 the number of symmetry operations of the space-group. Those numbers should be
 associated with the data name '_atom_site_site_symmetry_order. 
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