I’m currently dealing with a mixed theoretical/experimental perovskite dataset, where a large portion of the CIF files are disordered in the organic molecules. Most of the issues can be sorted out one way or another, but it’s very much a matter of playing with tolerances/modes in the merge_site functions. Is anyone aware of a better way to go about dealing with noisy experimentally resolved CIFs within pymatgen (or a similar library)? Thanks very much in advance.