Compare multiplicities calculated by sytsym to those given in cif - #355
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Add check to compare calculated site multiplicities to those stated in the cif file. Will hopefully make issues such as AdvancedPhotonSource#352 more obvious.
Comment out warning message for missing site multiplicities.
Update warning messages for multiplicity mismatch in G2phase_CIF.py.
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Adds a check to compare calculated site multiplicities to those stated in the cif file (if present). Will hopefully make issues such as #352 more obvious.