Index

Core dictionary (coreCIF) version 2.4.5

Category SYMMETRY_EQUIV

Name:
'_symmetry_equiv_[]'

Definition:

   Data items in the SYMMETRY_EQUIV category list the
   symmetry-equivalent positions for the space group.

Examples:

Example 1 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), C47, 2276-2277].
 
    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 2 - based on data set TOZ of Willis, Beckwith & Tozer [Acta Cryst. (1991), 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.
 
    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




Type: null

Category: category_overview