data_global _chemical_name_mineral 'Alloclasite' loop_ _publ_author_name 'Scott J D' 'Nowacki W' _journal_name_full 'The Canadian Mineralogist' _journal_volume 14 _journal_year 1976 _journal_page_first 561 _journal_page_last 566 _publ_section_title ; The crystal structure of alloclasite, CoAsS, and the alloclasite-cobaltite transformation ; _database_code_amcsd 0005134 _chemical_formula_sum 'Co As S' _cell_length_a 4.661 _cell_length_b 5.602 _cell_length_c 3.411 _cell_angle_alpha 90 _cell_angle_beta 90.2 _cell_angle_gamma 90 _cell_volume 89.064 _exptl_crystal_density_diffrn 6.187 _symmetry_space_group_name_H-M 'P 1 21 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Co 0.24824 0.00000 0.24480 As 0.04766 0.37149 0.25547 S 0.44104 0.62236 0.24239 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 0.01244 0.01335 0.01309 0.00000 0.00000 -0.00019 As 0.01695 0.01781 0.01527 -0.00053 -0.00040 -0.00019 S 0.01750 0.01860 0.01886 0.00079 -0.00072 0.00039