data_global _chemical_name_mineral 'Cubanite' loop_ _publ_author_name 'Azaroff L V' 'Buerger M J' _journal_name_full 'American Mineralogist' _journal_volume 40 _journal_year 1955 _journal_page_first 213 _journal_page_last 225 _publ_section_title ; Refinement of the structure of cubanite, CuFe2S3 ; _database_code_amcsd 0000068 _chemical_formula_sum 'Fe2 Cu S3' _cell_length_a 6.46 _cell_length_b 11.12 _cell_length_c 6.23 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 447.533 _exptl_crystal_density_diffrn 4.029 _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 Fe 0.08750 0.08800 0.13400 Cu 0.58300 0.25000 0.12700 S1 0.91300 0.25000 0.26250 S2 0.41300 0.08350 0.27400