# generated using pymatgen data_Bi2AsO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09348600 _cell_length_b 7.15790500 _cell_length_c 10.90730737 _cell_angle_alpha 71.81163921 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2AsO6 _chemical_formula_sum 'Bi8 As4 O24' _cell_volume 526.14206248 _cell_formula_units_Z 4 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 0.90891800 0.74127700 0.97675200 1.0 Bi Bi1 1 0.40891800 0.25872300 0.52324800 1.0 Bi Bi2 1 0.09108200 0.25872300 0.02324800 1.0 Bi Bi3 1 0.59108200 0.74127700 0.47675200 1.0 Bi Bi4 1 0.36755800 0.59626800 0.17764000 1.0 Bi Bi5 1 0.86755800 0.40373200 0.32236000 1.0 Bi Bi6 1 0.63244200 0.40373200 0.82236000 1.0 Bi Bi7 1 0.13244200 0.59626800 0.67764000 1.0 As As8 1 0.07188900 0.87018900 0.32882400 1.0 As As9 1 0.57188900 0.12981100 0.17117600 1.0 As As10 1 0.92811100 0.12981100 0.67117600 1.0 As As11 1 0.42811100 0.87018900 0.82882400 1.0 O O12 1 0.07975100 0.49490800 0.11314700 1.0 O O13 1 0.57975100 0.50509200 0.38685300 1.0 O O14 1 0.92024900 0.50509200 0.88685300 1.0 O O15 1 0.42024900 0.49490800 0.61314700 1.0 O O16 1 0.72078600 0.57286200 0.14383600 1.0 O O17 1 0.22078600 0.42713800 0.35616400 1.0 O O18 1 0.27921400 0.42713800 0.85616400 1.0 O O19 1 0.77921400 0.57286200 0.64383600 1.0 O O20 1 0.13671500 0.82098700 0.18931300 1.0 O O21 1 0.63671500 0.17901300 0.31068700 1.0 O O22 1 0.86328500 0.17901300 0.81068700 1.0 O O23 1 0.36328500 0.82098700 0.68931300 1.0 O O24 1 0.22720000 0.82356600 0.45615800 1.0 O O25 1 0.72720000 0.17643400 0.04384200 1.0 O O26 1 0.77280000 0.17643400 0.54384200 1.0 O O27 1 0.27280000 0.82356600 0.95615800 1.0 O O28 1 0.88720000 0.70809700 0.38763500 1.0 O O29 1 0.38720000 0.29190300 0.11236500 1.0 O O30 1 0.11280000 0.29190300 0.61236500 1.0 O O31 1 0.61280000 0.70809700 0.88763500 1.0 O O32 1 0.01299000 0.11348000 0.27275900 1.0 O O33 1 0.51299000 0.88652000 0.22724100 1.0 O O34 1 0.98701000 0.88652000 0.72724100 1.0 O O35 1 0.48701000 0.11348000 0.77275900 1.0