scripts/cif_filter: tests/cases/cif_filter_118.inp(4) data_1: WARNING, tag _chemical_formula_sum appears more than once, the second occurrence '?' is ignored.
scripts/cif_filter: tests/cases/cif_filter_118.inp(17) data_1: ERROR, tag _atom_site_label appears more than once.
scripts/cif_filter: tests/cases/cif_filter_118.inp(17) data_1: ERROR, tag _atom_site_fract_x appears more than once.
scripts/cif_filter: tests/cases/cif_filter_118.inp(17) data_1: ERROR, tag _atom_site_fract_y appears more than once.
scripts/cif_filter: tests/cases/cif_filter_118.inp(17) data_1: ERROR, tag _atom_site_fract_z appears more than once.
scripts/cif_filter: tests/cases/cif_filter_118.inp: NOTE, 1 WARNING(s) encountered while parsing the file.
scripts/cif_filter: tests/cases/cif_filter_118.inp: ERROR, 4 ERROR(s) encountered while parsing the file -- die on ERROR(s) requested.
