data_global _chemical_name_mineral 'Cobaltite' loop_ _publ_author_name 'Fleet M E' 'Burns P C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 28 _journal_year 1990 _journal_page_first 719 _journal_page_last 723 _publ_section_title ; Structure and twinning of cobaltite ; _database_code_amcsd 0005243 _chemical_formula_sum 'Co As S' _cell_length_a 5.5833 _cell_length_b 5.5892 _cell_length_c 5.5812 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 174.168 _exptl_crystal_density_diffrn 6.328 _symmetry_space_group_name_H-M 'P c a 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,z' '1/2-x,y,1/2+z' '-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Co 0.99504 0.25909 0.00000 As 0.61885 0.86935 0.61669 S 0.38266 0.63129 0.37996 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 Co 0.47062 0.26429 0.39609 -0.00474 0.01263 0.02212 As 0.67276 0.45579 0.54601 -0.03004 -0.00316 -0.04109 S 0.56695 0.38299 0.54601 0.04268 -0.06157 0.09482