# generated using pymatgen data_Ba20Si8Bi3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78154617 _cell_length_b 8.78154617 _cell_length_c 16.72805014 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba20Si8Bi3Pb _chemical_formula_sum 'Ba20 Si8 Bi3 Pb1' _cell_volume 1289.99283810 _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 Ba Ba0 1 0.31823519 0.66990533 0.11157012 1.0 Ba Ba1 1 0.16990533 0.18176481 0.11157012 1.0 Ba Ba2 1 0.50000000 0.00000000 0.73868487 1.0 Ba Ba3 1 0.32838289 0.68049376 0.38880481 1.0 Ba Ba4 1 0.67093362 0.68002829 0.88812072 1.0 Ba Ba5 1 0.18049376 0.17161711 0.38880481 1.0 Ba Ba6 1 0.67161711 0.31950624 0.38880481 1.0 Ba Ba7 1 0.17000674 0.81795878 0.61150919 1.0 Ba Ba8 1 0.32906638 0.31997171 0.88812072 1.0 Ba Ba9 1 0.18002829 0.82906638 0.88812072 1.0 Ba Ba10 1 0.50000000 0.00000000 0.23699159 1.0 Ba Ba11 1 0.82999326 0.18204122 0.61150919 1.0 Ba Ba12 1 0.31795878 0.32999326 0.61150919 1.0 Ba Ba13 1 0.81950624 0.82838289 0.38880481 1.0 Ba Ba14 1 0.81997171 0.17093362 0.88812072 1.0 Ba Ba15 1 0.83009467 0.81823519 0.11157012 1.0 Ba Ba16 1 0.00000000 0.50000000 0.25749807 1.0 Ba Ba17 1 0.00000000 0.50000000 0.76736258 1.0 Ba Ba18 1 0.68176481 0.33009467 0.11157012 1.0 Ba Ba19 1 0.68204122 0.67000674 0.61150919 1.0 Si Si20 1 0.10160666 0.10122719 0.74873491 1.0 Si Si21 1 0.39877281 0.60160666 0.74873491 1.0 Si Si22 1 0.60108923 0.60143276 0.25116198 1.0 Si Si23 1 0.10143276 0.89891077 0.25116198 1.0 Si Si24 1 0.60122719 0.39839334 0.74873491 1.0 Si Si25 1 0.89839334 0.89877281 0.74873491 1.0 Si Si26 1 0.39891077 0.39856724 0.25116198 1.0 Si Si27 1 0.89856724 0.10108923 0.25116198 1.0 Bi Bi28 1 0.50000000 0.00000000 0.00504532 1.0 Bi Bi29 1 0.50000000 0.00000000 0.50590125 1.0 Bi Bi30 1 0.00000000 0.50000000 0.49344663 1.0 Pb Pb31 1 0.00000000 0.50000000 0.99546678 1.0