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Core CIF Dictionary version 2.3

_symmetry_equiv_[]

Name

'_symmetry_equiv_[]'

Category: category_overview

Data type: null

Examples:

    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.

Definition

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


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