File: cif2cod_049.out

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scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, data item '_chemical_formula_sum' is absent.
scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, data item '_publ_section_title' is absent.
scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, data item '_journal_name_full' is absent.
scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, data item '_journal_year' is absent.
scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, data item '_journal_volume' is absent.
scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, data item '_journal_page_first' is absent.
scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, no space group information found.
scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, no Hall space group symbol found.
scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, at least one of the lattice parameters has an undefined value -- cell volume could not be calculated.
scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated.
scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, not enough data to estimate Z; cell volume undefined; crystal density undefined; molecular weight undefined -- assuming Z = 1.
scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
scripts/cif2cod: tests/cases/cif2cod_049.inp data_multiline_names: WARNING, unit cell summary formula could not be calculated -- cell length data item '_cell_length_a' not present.
authors Name Surname; von Surname, Name; John Multiline; Sara Prefix Newline