scripts/cif_cell_contents: tests/cases/cif_cell_contents_021.inp data_d5_molecule_0: 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_021.inp data_d5_molecule_0: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1.
scripts/cif_cell_contents: tests/cases/cif_cell_contents_021.inp data_d5_molecule_1: 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_021.inp data_d5_molecule_1: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1.
C72 H162 P6 S8 W6
C72 H162 P6 S8 W6
