# generated using pymatgen data_Sc3Bi3O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.68483000 _cell_length_b 9.68483000 _cell_length_c 9.68483000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Bi3O11 _chemical_formula_sum 'Sc12 Bi12 O44' _cell_volume 908.39765736 _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 Sc Sc0 1 0.78724900 0.00000000 0.50000000 1.0 Sc Sc1 1 0.00000000 0.50000000 0.21275100 1.0 Sc Sc2 1 0.00000000 0.50000000 0.78724900 1.0 Sc Sc3 1 0.00000000 0.28724900 0.50000000 1.0 Sc Sc4 1 0.00000000 0.71275100 0.50000000 1.0 Sc Sc5 1 0.21275100 0.00000000 0.50000000 1.0 Sc Sc6 1 0.28724900 0.50000000 0.00000000 1.0 Sc Sc7 1 0.50000000 0.78724900 0.00000000 1.0 Sc Sc8 1 0.50000000 0.00000000 0.28724900 1.0 Sc Sc9 1 0.50000000 0.21275100 0.00000000 1.0 Sc Sc10 1 0.50000000 0.00000000 0.71275100 1.0 Sc Sc11 1 0.71275100 0.50000000 0.00000000 1.0 Bi Bi12 1 0.75000000 0.75000000 0.75000000 1.0 Bi Bi13 1 0.75000000 0.25000000 0.25000000 1.0 Bi Bi14 1 0.86750300 0.86750300 0.13249700 1.0 Bi Bi15 1 0.86750300 0.13249700 0.86750300 1.0 Bi Bi16 1 0.13249700 0.86750300 0.86750300 1.0 Bi Bi17 1 0.13249700 0.13249700 0.13249700 1.0 Bi Bi18 1 0.25000000 0.75000000 0.25000000 1.0 Bi Bi19 1 0.25000000 0.25000000 0.75000000 1.0 Bi Bi20 1 0.36750300 0.36750300 0.36750300 1.0 Bi Bi21 1 0.36750300 0.63249700 0.63249700 1.0 Bi Bi22 1 0.63249700 0.36750300 0.63249700 1.0 Bi Bi23 1 0.63249700 0.63249700 0.36750300 1.0 O O24 1 0.78356400 0.50567800 0.79829400 1.0 O O25 1 0.78356400 0.49432200 0.20170600 1.0 O O26 1 0.92266900 0.50000000 0.50000000 1.0 O O27 1 0.79829400 0.78356400 0.50567800 1.0 O O28 1 0.79829400 0.21643600 0.49432200 1.0 O O29 1 0.89831000 0.89831000 0.89831000 1.0 O O30 1 0.89831000 0.10169000 0.10169000 1.0 O O31 1 0.99432200 0.70170600 0.71643600 1.0 O O32 1 0.99432200 0.29829400 0.28356400 1.0 O O33 1 0.00000000 0.57733100 0.00000000 1.0 O O34 1 0.00000000 0.42266900 0.00000000 1.0 O O35 1 0.00000000 0.00000000 0.42266900 1.0 O O36 1 0.00000000 0.00000000 0.57733100 1.0 O O37 1 0.00567800 0.29829400 0.71643600 1.0 O O38 1 0.00567800 0.70170600 0.28356400 1.0 O O39 1 0.10169000 0.89831000 0.10169000 1.0 O O40 1 0.10169000 0.10169000 0.89831000 1.0 O O41 1 0.20170600 0.78356400 0.49432200 1.0 O O42 1 0.20170600 0.21643600 0.50567800 1.0 O O43 1 0.07733100 0.50000000 0.50000000 1.0 O O44 1 0.21643600 0.49432200 0.79829400 1.0 O O45 1 0.21643600 0.50567800 0.20170600 1.0 O O46 1 0.28356400 0.99432200 0.29829400 1.0 O O47 1 0.28356400 0.00567800 0.70170600 1.0 O O48 1 0.42266900 0.00000000 0.00000000 1.0 O O49 1 0.29829400 0.28356400 0.99432200 1.0 O O50 1 0.29829400 0.71643600 0.00567800 1.0 O O51 1 0.39831000 0.39831000 0.60169000 1.0 O O52 1 0.39831000 0.60169000 0.39831000 1.0 O O53 1 0.49432200 0.79829400 0.21643600 1.0 O O54 1 0.49432200 0.20170600 0.78356400 1.0 O O55 1 0.50000000 0.92266900 0.50000000 1.0 O O56 1 0.50000000 0.07733100 0.50000000 1.0 O O57 1 0.50000000 0.50000000 0.92266900 1.0 O O58 1 0.50000000 0.50000000 0.07733100 1.0 O O59 1 0.50567800 0.79829400 0.78356400 1.0 O O60 1 0.50567800 0.20170600 0.21643600 1.0 O O61 1 0.60169000 0.39831000 0.39831000 1.0 O O62 1 0.60169000 0.60169000 0.60169000 1.0 O O63 1 0.70170600 0.28356400 0.00567800 1.0 O O64 1 0.70170600 0.71643600 0.99432200 1.0 O O65 1 0.57733100 0.00000000 0.00000000 1.0 O O66 1 0.71643600 0.99432200 0.70170600 1.0 O O67 1 0.71643600 0.00567800 0.29829400 1.0