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PLAT700 Type_1 Test for the use of the superseded _atom_site_symmetry_multiplicity name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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