scripts/cif_cell_contents: tests/cases/cif_cell_contents_005.inp data_9000020: WARNING, data item '_cell_formula_units_Z' was not found -- the Z value will be estimated.
scripts/cif_cell_contents: tests/cases/cif_cell_contents_005.inp data_9000020: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1.
Al12.992 F31.056 Mg3.008 Na2.8 O23.944
