data_global _chemical_name_mineral 'Bornite' loop_ _publ_author_name 'Morimoto N' _journal_name_full 'Acta Crystallographica' _journal_volume 17 _journal_year 1964 _journal_page_first 351 _journal_page_last 360 _publ_section_title ; Structures of two polymorphic forms of Cu5FeS4 Sample: metastable, twin process ; _database_code_amcsd 0009281 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cu1.25 Fe.25 S' _cell_length_a 6.70 _cell_length_b 6.70 _cell_length_c 6.70 _cell_angle_alpha 33.53 _cell_angle_beta 33.53 _cell_angle_gamma 33.53 _cell_volume 81.736 _exptl_crystal_density_diffrn 5.098 _symmetry_space_group_name_H-M 'R 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,z,y' 'z,x,y' 'y,x,z' 'y,z,x' 'z,y,x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy CuM1a 0.15500 0.15500 0.15500 0.20830 FeM1a 0.15500 0.15500 0.15500 0.04170 CuM1b 0.11500 0.11500 0.19500 0.20830 FeM1b 0.11500 0.11500 0.19500 0.04170 CuM2a 0.36500 0.36500 0.36500 0.20830 FeM2a 0.36500 0.36500 0.36500 0.04170 CuM2b 0.40500 0.40500 0.32500 0.20830 FeM2b 0.40500 0.40500 0.32500 0.04170 CuM3a 0.63500 0.63500 0.63500 0.20830 FeM3a 0.63500 0.63500 0.63500 0.04170 CuM3b 0.59500 0.59500 0.67500 0.20830 FeM3b 0.59500 0.59500 0.67500 0.04170 S1 0.00000 0.00000 0.00000 1.00000 S2 0.50000 0.50000 0.50000 1.00000