# generated using pymatgen data_Bi12AsO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86214962 _cell_length_b 8.86207717 _cell_length_c 8.86209621 _cell_angle_alpha 109.47081825 _cell_angle_beta 109.47129818 _cell_angle_gamma 109.47119775 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi12AsO20 _chemical_formula_sum 'Bi12 As1 O20' _cell_volume 535.78560252 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 0.80192628 0.14884625 0.30251449 1.0 Bi Bi1 1 0.85115319 0.65307849 0.15367014 1.0 Bi Bi2 1 0.50058793 0.34691519 0.19806897 1.0 Bi Bi3 1 0.65308217 0.15367014 0.85115340 1.0 Bi Bi4 1 0.34692059 0.19807307 0.50058982 1.0 Bi Bi5 1 0.84633342 0.49941132 0.69748575 1.0 Bi Bi6 1 0.19807313 0.50058785 0.34691763 1.0 Bi Bi7 1 0.30251627 0.80192452 0.14884628 1.0 Bi Bi8 1 0.69748497 0.84633044 0.49941037 1.0 Bi Bi9 1 0.14884323 0.30251522 0.80192682 1.0 Bi Bi10 1 0.49941187 0.69748416 0.84633004 1.0 Bi Bi11 1 0.15366705 0.85115299 0.65307985 1.0 As As12 1 0.00000145 0.00002079 0.00001259 1.0 O O13 1 0.60248976 -0.00000010 0.00000038 1.0 O O14 1 0.75826457 0.37493766 0.11796191 1.0 O O15 1 0.19286156 0.00000326 0.00000139 1.0 O O16 1 0.61667199 0.24173291 0.35969801 1.0 O O17 1 0.88203209 0.25697294 0.64030117 1.0 O O18 1 -0.00000116 0.19285312 0.00000152 1.0 O O19 1 0.00000045 0.00000322 0.19286364 1.0 O O20 1 0.74302508 0.62505983 0.38331996 1.0 O O21 1 0.39751229 0.39751093 0.39750990 1.0 O O22 1 0.62506328 0.38332765 0.74302703 1.0 O O23 1 0.37493746 0.11796227 0.75826452 1.0 O O24 1 0.35969926 0.61667170 0.24173021 1.0 O O25 1 0.64030096 0.88203554 0.25697484 1.0 O O26 1 -0.00000018 -0.00000080 0.60248860 1.0 O O27 1 -0.00000004 0.60248669 0.99999892 1.0 O O28 1 0.24173608 0.35969894 0.61667394 1.0 O O29 1 0.80713992 0.80714181 0.80714076 1.0 O O30 1 0.38332922 0.74302659 0.62506199 1.0 O O31 1 0.11796423 0.75826492 0.37493889 1.0 O O32 1 0.25697362 0.64029948 0.88203427 1.0