Data type: null
loop_ _symmetry_equiv_pos_as_xyz +x,+y,+z 1/2-x,-y,1/2+z 1/2+x,1/2-y,-z -x,1/2+y,1/2-z
Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [(1991). Acta Cryst. C47, 2276-2277].
loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 1/2-x,-y,1/2+z 3 1/2+x,1/2-y,-z 4 -x,1/2+y,1/2-z
Example 2 - based on data set TOZ of Willis, Beckwith & Tozer [(1991). Acta Cryst. C47, 2276-2277]. Formally the value of _symmetry_equiv_pos_site_id can be any unique character string; it is recommended that it be assigned the sequence number of the list of equivalent positions for compatibility with older files in which it did not appear.
Data items in the SYMMETRY_EQUIV category list the symmetry equivalent positions for the space group.