XmlmmCIF equivalent: symmetry_equiv
Data items in the SYMMETRY_EQUIV category list the
symmetry equivalent positions for the space group.
XmlmmCIF equivalent: symmetry_equiv/pos_as_xyz
Symmetry equivalent position in the 'xyz' representation. Except
for the space group P1, these data are repeated in a loop.
The format of the data item is as per International Tables for
Crystallography, Vol. A. (1987). All equivalent positions should
be entered, including those for lattice centring and a centre of
symmetry, if present.
XmlmmCIF equivalent: symmetry_equiv/id
The value of _symmetry_equiv.id must uniquely identify
a record in the SYMMETRY_EQUIV category.
Note that this item need not be a number; it can be any unique
identifier.