data_global _chemical_name_mineral 'Cubanite' loop_ _publ_author_name 'McCammon C A' 'Zhang J' 'Hazen R M' 'Finger L W' _journal_name_full 'American Mineralogist' _journal_volume 77 _journal_year 1992 _journal_page_first 937 _journal_page_last 944 _publ_section_title ; High-pressure crystal chemistry of cubanite, CuFe2S3 P = 3.6 GPa ; _database_code_amcsd 0001536 _chemical_formula_sum 'Cu Fe2 S3' _cell_length_a 6.344 _cell_length_b 10.919 _cell_length_c 6.098 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 422.409 _exptl_crystal_density_diffrn 4.268 _symmetry_space_group_name_H-M 'P c m n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2+x,1/2+y,1/2-z' '1/2-x,1/2-y,1/2+z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cu 0.58310 0.25000 0.11140 0.02115 Fe 0.40660 0.41320 0.62980 0.01672 S1 0.61100 0.25000 0.75030 0.02115 S2 0.42450 0.41460 0.25640 0.01507