scripts/cif_cod_check: tests/cases/cif_cod_check_104.inp data_2005206: NOTE, symmetry operation set is not compatible with the declared space group -- additional symmetry operations ['-x,-y,-z'] are required by the 'P 1 21/n 1' space group.
scripts/cif_cod_check: tests/cases/cif_cod_check_104.inp data_2005206: NOTE, symmetry operation set is not compatible with the declared space group -- symmetry operations ['x,-y,-z'] do not belong to the 'P 1 21/n 1' space group.
scripts/cif_cod_check: tests/cases/cif_cod_check_104.inp data_2005206: ERROR, data item '_refine_ls_shift/esd_max' value '0.25' is > 0.2.
scripts/cif_cod_check: tests/cases/cif_cod_check_104.inp: NOTE, 2 NOTE(s) encountered.
scripts/cif_cod_check: tests/cases/cif_cod_check_104.inp: ERROR, 1 ERROR(s) encountered -- die on ERROR(s) requested.
