File: cif_cod_check_103.out

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scripts/cif_cod_check: tests/cases/cif_cod_check_103.inp data_2001925: NOTE, symmetry operation 'x,y,z' is repeated 3 times (as 'x,y,z', 'x-1,y-1,z', 'x-1,y,z') in symmetry operation list.
scripts/cif_cod_check: tests/cases/cif_cod_check_103.inp data_2001925: NOTE, symmetry operations '-x+1/2,y+1/2,-z+1/2', '-x,-y,-z', 'x+1/2,-y+1/2,z+1/2' are missing, although required by the space group 'P 1 21/n 1'.
scripts/cif_cod_check: tests/cases/cif_cod_check_103.inp data_2001925: NOTE, data item '_refine_ls_goodness_of_fit_obs' value '2.24' lies outside the range [0.8, 2].
scripts/cif_cod_check: tests/cases/cif_cod_check_103.inp data_2001925: WARNING, structure is published after 1969, but does not contain temperature factors.
scripts/cif_cod_check: tests/cases/cif_cod_check_103.inp: NOTE, 3 NOTE(s) encountered.
scripts/cif_cod_check: tests/cases/cif_cod_check_103.inp: NOTE, 1 WARNING(s) encountered.