ASE problem reading cif file of hexagonal crystal
Hello. I wanted to inform you of what appears to be a problem when reading some cif files to create an Atoms object. I haven't done extensive checking, but it appears to be connected with hexagonal, maybe trigonal structures. Take for example the cif file from the COD (Crystallygraphy Open Database) with id 1531508. This corresponds to a structure with composition NaZn2(PO4)3, i.e. a total of 18 atoms per formula unit, and 6 formula units in the unit cell. So one would expect to find 6 * 18 = 108 atoms in the Atoms object created from ase.io.read('1531508.cif'), but surprisingly this gives an Atoms object with 129 atoms, which is inconsistent with the crystal stoichiometry. If I read the cif file with Crystals.from_cif() instead, everything works fine. Am I doing something wrong, or is there a problem with ASE's reading from cif files?
Thanks.