scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, data item '_chemical_formula_sum' is absent.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, data item '_publ_section_title' is absent.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, data item '_journal_name_full' is absent.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, data item '_journal_year' is absent.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, data item '_journal_volume' is absent.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, data item '_journal_page_first' is absent.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, no Hall space group symbol found.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, data item '_cell_formula_units_Z' was not found -- the Z value will be estimated.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, not enough data to estimate Z; cell volume undefined; crystal density undefined; molecular weight undefined -- assuming Z = 1.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, cell angle data item '_cell_angle_alpha' was not found -- taking default value 90 degrees.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, cell angle data item '_cell_angle_beta' was not found -- taking default value 90 degrees.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, cell angle data item '_cell_angle_gamma' was not found -- taking default value 90 degrees.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, data items ['_space_group_name_H-M_alt', '_symmetry_space_group_name_H-M'] refer to the same piece of information, but have differing values ['P -1', 'P 1'] -- the 'P -1' value will be used.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, cell angle data item '_cell_angle_alpha' was not found -- taking default value 90 degrees.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, cell angle data item '_cell_angle_beta' was not found -- taking default value 90 degrees.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, cell angle data item '_cell_angle_gamma' was not found -- taking default value 90 degrees.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, summary formula could not be calculated -- neither data item '_atom_site_label' nor data item '_atom_site_type_symbol' was found.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, cell angle data item '_cell_angle_alpha' was not found -- taking default value 90 degrees.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, cell angle data item '_cell_angle_beta' was not found -- taking default value 90 degrees.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, cell angle data item '_cell_angle_gamma' was not found -- taking default value 90 degrees.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, data items ['_space_group_name_H-M_alt', '_symmetry_space_group_name_H-M'] refer to the same piece of information, but have differing values ['P -1', 'P 1'] -- the 'P -1' value will be used.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, cell angle data item '_cell_angle_alpha' was not found -- taking default value 90 degrees.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, cell angle data item '_cell_angle_beta' was not found -- taking default value 90 degrees.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, cell angle data item '_cell_angle_gamma' was not found -- taking default value 90 degrees.
scripts/cif2cod: tests/cases/cif2cod_052.inp data_alternate: WARNING, unit cell summary formula could not be calculated -- neither data item '_atom_site_label' nor data item '_atom_site_type_symbol' was found.
file alternate
a 10
b 10
c 10
nel 0
sg P -1
formula ?
flags 
text \n\n\n\n()\n
