data_global _chemical_name_mineral 'Cubanite' loop_ _publ_author_name 'Fleet M E' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 132 _journal_year 1971 _journal_page_first 276 _journal_page_last 287 _publ_section_title ; Refinement of the crystal structure of cubanite and polymorphism of CuFe2S3 Sample: isotropic refinement ; _database_code_amcsd 0010720 _chemical_formula_sum 'Cu Fe2 S3' _cell_length_a 6.4679 _cell_length_b 11.1201 _cell_length_c 6.2336 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 448.344 _exptl_crystal_density_diffrn 4.021 _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 0.57920 0.25000 0.12050 0.01546 Fe 0.41250 0.41310 0.63720 0.01021 S1 0.56930 0.25000 0.75950 0.00807 S2 0.40380 0.41370 0.26720 0.01060