data_global _chemical_name_mineral 'Hauchecornite' loop_ _publ_author_name 'Kocman V' 'Nuffield E W' _journal_name_full 'The Canadian Mineralogist' _journal_volume 12 _journal_year 1974 _journal_page_first 269 _journal_page_last 274 _publ_section_title ; The crystal structure of antimonian hauchecornite from Westphalia ; _database_code_amcsd 0005099 _chemical_compound_source 'Westphalia' _chemical_formula_sum 'Bi1.3 Sb.7 Ni9 S8' _cell_length_a 7.300 _cell_length_b 7.300 _cell_length_c 5.402 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 287.873 _exptl_crystal_density_diffrn 6.585 _symmetry_space_group_name_H-M 'P 4/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,x,-z' 'y,-x,-z' '-y,x,z' 'x,-y,z' '-x,y,-z' 'x,y,-z' '-x,-y,z' 'y,x,z' '-y,-x,-z' '-y,x,-z' 'y,-x,z' '-x,y,z' 'x,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi 0.00000 0.00000 0.00000 1.00000 SbM 0.50000 0.50000 0.50000 0.70000 BiM 0.50000 0.50000 0.50000 0.30000 Ni1 0.00000 0.00000 0.50000 1.00000 Ni2 0.18076 0.50000 0.25249 1.00000 S1 0.31274 0.00000 0.50000 1.00000 S2 0.26961 0.26961 0.00000 1.00000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Bi 0.01404 0.01404 0.00414 0.00000 0.00000 0.00000 SbM 0.01215 0.01215 0.00857 0.00000 0.00000 0.00000 BiM 0.01215 0.01215 0.00857 0.00000 0.00000 0.00000 Ni1 0.00783 0.00783 0.00665 0.00000 0.00000 0.00000 Ni2 0.02268 0.01404 0.00754 0.00000 0.00280 0.00000 S1 0.00729 0.01026 0.00340 0.00000 0.00000 0.00000 S2 0.00081 0.00891 0.00488 0.00054 0.00000 0.00000