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scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, data item '_publ_section_title' is absent.
scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, data item '_journal_name_full' is absent.
scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, data item '_journal_year' is absent.
scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, data item '_journal_volume' is absent.
scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, data item '_journal_page_first' is absent.
scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, no Hall space group symbol found.
scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, the _cell_formula_units_Z data item is missing -- the Z value will be estimated.
scripts/cif2cod: tests/cases/cif2cod_024.inp data_1000023: WARNING, not enough data to estimate Z; crystal density undefined; molecular weight undefined -- assuming Z = 1.
file;method;flags
"1000023";"powder diffraction";"has coordinates"
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