data_global _chemical_name_mineral 'Ullmannite' loop_ _publ_author_name 'Bayliss P' _journal_name_full 'American Mineralogist' _journal_volume 62 _journal_year 1977 _journal_page_first 369 _journal_page_last 373 _publ_section_title ; Crystal structure refinement of arsenian ullmannite approximate cubic structure ; _database_code_amcsd 0000576 _chemical_formula_sum '(Ni.97 Co.03) S.98 As.1 Sb.91 Bi.01' _cell_length_a 5.886 _cell_length_b 5.886 _cell_length_c 5.886 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 203.920 _exptl_crystal_density_diffrn 6.856 _symmetry_space_group_name_H-M 'P 21 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-z,-x,1/2+y' '-z,1/2+x,1/2-y' '1/2+z,1/2-x,-y' 'z,x,y' '1/2+y,1/2-z,-x' '1/2-y,-z,1/2+x' '-y,1/2+z,1/2-x' 'y,z,x' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ni -0.01710 -0.01710 -0.01710 0.97000 0.00823 Co -0.01710 -0.01710 -0.01710 0.03000 0.00823 S 0.38170 0.38170 0.38170 0.98000 0.01013 As 0.38170 0.38170 0.38170 0.02000 0.01013 Sb 0.62560 0.62560 0.62560 0.91000 0.00785 As 0.62560 0.62560 0.62560 0.08000 0.00785 Bi 0.62560 0.62560 0.62560 0.01000 0.00785