diff --git a/cif_core_multiblock.dic b/cif_core_multiblock.dic index 0e08c75..f79d9be 100644 --- a/cif_core_multiblock.dic +++ b/cif_core_multiblock.dic @@ -1569,6 +1569,7 @@ save_ATOM_SITE _description_example.case _description_example.detail ; + _structure.id STR_1 loop_ _atom_site.label _atom_site.occupancy @@ -1583,9 +1584,9 @@ save_ATOM_SITE H13B .5 M 2 ; ; - A hypothetical example of a positional disorder description. Disorder - assembly 'M' describes a methyl group with two alternative - configurations '1' and '2': + A hypothetical example of a positional disorder description for the + structure designated "STR_1". Disorder assembly 'M' describes a + methyl group with two alternative configurations '1' and '2': H11B H11A H13B . | . @@ -1598,6 +1599,7 @@ save_ATOM_SITE H12A H12B H13A ; ; + _structure.id STR_I loop_ _atom_site.label _atom_site.type_symbol @@ -1615,9 +1617,10 @@ save_ATOM_SITE # ... ; ; - An example of a compositional disorder description. Disorder assembly - 'A' describes a site that is simultaneously occupied by Co and Mn - atoms which are assigned to disorder group '1' and disorder group '2' + An example of a compositional disorder description for the + structure designated "STR_I". Disorder assembly 'A' describes + a site that is simultaneously occupied by Co and Mn atoms which + are assigned to disorder group '1' and disorder group '2' respectively. The example was created based on data from: