Allow explicit compositional disorder markup #343
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This PR tries to at least partially address issue #251. Please check if the rewording is suitable.
I also added two example CIF files that describe compositional disorder using the
_atom_site.disorder_*data items. These examples were created from legitimate CIF files found in the COD database and represent the already adopted usage practices. I did do some editorial changes like remove most of the data items unrelated to the specific example and update the the data names to their newer dotted versions, but did not modify the semantics (the disorder markup was introduced by the original authors of the CIFs). Hopefully, these can be used to create a suitable example which was requested in #251 (comment).Also, I noticed that the disorder example that was provided in the DDL1 version of the dictionary as part of the
ATOM_SITEcategory description (see https://github.com/COMCIFS/DDL1-legacy-dictionaries/blob/28e20dc928790dceb889716d2bed435fc10c4c79/dictionaries/cif_core.dic#L850) is no longer available in the DDLm dictionary. Maybe this example should be restored or a similar one reintroduced?