# generated using pymatgen data_Ba5(Sn3Bi2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44877716 _cell_length_b 7.44877716 _cell_length_c 28.01080700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999250 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5(Sn3Bi2)3 _chemical_formula_sum 'Ba10 Sn18 Bi12' _cell_volume 1345.94170140 _cell_formula_units_Z 2 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 0.33333300 0.66666700 0.55689600 1.0 Ba Ba1 1 0.66666700 0.33333300 0.44310400 1.0 Ba Ba2 1 0.66666700 0.33333300 0.05689600 1.0 Ba Ba3 1 0.33333300 0.66666700 0.94310400 1.0 Ba Ba4 1 0.00000000 0.00000000 0.15818200 1.0 Ba Ba5 1 0.00000000 0.00000000 0.84181800 1.0 Ba Ba6 1 0.00000000 0.00000000 0.65818200 1.0 Ba Ba7 1 0.00000000 0.00000000 0.34181800 1.0 Ba Ba8 1 0.33333300 0.66666700 0.75000000 1.0 Ba Ba9 1 0.66666700 0.33333300 0.25000000 1.0 Sn Sn10 1 0.19564300 0.39128600 0.25000000 1.0 Sn Sn11 1 0.80435700 0.60871400 0.75000000 1.0 Sn Sn12 1 0.60871400 0.80435700 0.25000000 1.0 Sn Sn13 1 0.39128600 0.19564300 0.75000000 1.0 Sn Sn14 1 0.19564300 0.80435700 0.25000000 1.0 Sn Sn15 1 0.80435700 0.19564300 0.75000000 1.0 Sn Sn16 1 0.52816200 0.05632300 0.65000200 1.0 Sn Sn17 1 0.47183800 0.94367700 0.34999800 1.0 Sn Sn18 1 0.94367700 0.47183800 0.65000200 1.0 Sn Sn19 1 0.47183800 0.94367700 0.15000200 1.0 Sn Sn20 1 0.05632300 0.52816200 0.34999800 1.0 Sn Sn21 1 0.52816200 0.05632300 0.84999800 1.0 Sn Sn22 1 0.52816200 0.47183800 0.65000200 1.0 Sn Sn23 1 0.05632300 0.52816200 0.15000200 1.0 Sn Sn24 1 0.47183800 0.52816200 0.34999800 1.0 Sn Sn25 1 0.94367700 0.47183800 0.84999800 1.0 Sn Sn26 1 0.47183800 0.52816200 0.15000200 1.0 Sn Sn27 1 0.52816200 0.47183800 0.84999800 1.0 Bi Bi28 1 0.16577100 0.33154300 0.05098900 1.0 Bi Bi29 1 0.83422900 0.66845700 0.94901100 1.0 Bi Bi30 1 0.66845700 0.83422900 0.05098900 1.0 Bi Bi31 1 0.83422900 0.66845700 0.55098900 1.0 Bi Bi32 1 0.33154300 0.16577100 0.94901100 1.0 Bi Bi33 1 0.16577100 0.33154300 0.44901100 1.0 Bi Bi34 1 0.16577100 0.83422900 0.05098900 1.0 Bi Bi35 1 0.33154300 0.16577100 0.55098900 1.0 Bi Bi36 1 0.83422900 0.16577100 0.94901100 1.0 Bi Bi37 1 0.66845700 0.83422900 0.44901100 1.0 Bi Bi38 1 0.83422900 0.16577100 0.55098900 1.0 Bi Bi39 1 0.16577100 0.83422900 0.44901100 1.0