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Core CIF Dictionary version 2.3




Category: atom_site

Data type: numb (with optional s.u. in parentheses)

Must appear in a looped list containing '_atom_site_label'

Enumeration range: 0.0 -> 1.0
Enumeration default: 1.0


   The fraction of the atom type present at this site.
   The sum of the occupancies of all the atom types at this site
   may not significantly exceed 1.0 unless it is a dummy site. The
   value must lie in the 99.97% Gaussian confidence interval
   -3u =_enumeration_range of 0.0:1.0 is thus
   correctly interpreted as meaning (0.0 - 3u) =

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