# generated using pymatgen data_Bi2SO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.86895000 _cell_length_b 5.86879600 _cell_length_c 8.06464650 _cell_angle_alpha 70.02596485 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2SO7 _chemical_formula_sum 'Bi8 S4 O28' _cell_volume 572.44644385 _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 0.63473700 0.06936700 0.54594600 1.0 Bi Bi1 1 0.13473700 0.43063300 0.45405400 1.0 Bi Bi2 1 0.36526300 0.93063300 0.45405400 1.0 Bi Bi3 1 0.86526300 0.56936700 0.54594600 1.0 Bi Bi4 1 0.62346000 0.77981300 0.20339800 1.0 Bi Bi5 1 0.12346000 0.72018700 0.79660200 1.0 Bi Bi6 1 0.37654000 0.22018700 0.79660200 1.0 Bi Bi7 1 0.87654000 0.27981300 0.20339800 1.0 S S8 1 0.63690700 0.40624500 0.87564300 1.0 S S9 1 0.13690700 0.09375500 0.12435700 1.0 S S10 1 0.36309300 0.59375500 0.12435700 1.0 S S11 1 0.86309300 0.90624500 0.87564300 1.0 O O12 1 0.73516200 0.86718700 0.39849100 1.0 O O13 1 0.23516200 0.63281300 0.60150900 1.0 O O14 1 0.26483800 0.13281300 0.60150900 1.0 O O15 1 0.76483800 0.36718700 0.39849100 1.0 O O16 1 0.53794300 0.95457700 0.35993400 1.0 O O17 1 0.03794300 0.54542300 0.64006600 1.0 O O18 1 0.46205700 0.04542300 0.64006600 1.0 O O19 1 0.96205700 0.45457700 0.35993400 1.0 O O20 1 0.58514400 0.44227700 0.40506400 1.0 O O21 1 0.08514400 0.05772300 0.59493600 1.0 O O22 1 0.41485600 0.55772300 0.59493600 1.0 O O23 1 0.91485600 0.94227700 0.40506400 1.0 O O24 1 0.70511600 0.36396400 0.73805300 1.0 O O25 1 0.20511600 0.13603600 0.26194700 1.0 O O26 1 0.29488400 0.63603600 0.26194700 1.0 O O27 1 0.79488400 0.86396400 0.73805300 1.0 O O28 1 0.55319900 0.21517600 0.91012400 1.0 O O29 1 0.05319900 0.28482400 0.08987600 1.0 O O30 1 0.44680100 0.78482400 0.08987600 1.0 O O31 1 0.94680100 0.71517600 0.91012400 1.0 O O32 1 0.69361800 0.36069100 0.04397200 1.0 O O33 1 0.19361800 0.13930900 0.95602800 1.0 O O34 1 0.30638200 0.63930900 0.95602800 1.0 O O35 1 0.80638200 0.86069100 0.04397200 1.0 O O36 1 0.59169700 0.65191700 0.81319800 1.0 O O37 1 0.09169700 0.84808300 0.18680200 1.0 O O38 1 0.40830300 0.34808300 0.18680200 1.0 O O39 1 0.90830300 0.15191700 0.81319800 1.0