# generated using pymatgen data_BaSn2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31469871 _cell_length_b 7.31469871 _cell_length_c 12.23085222 _cell_angle_alpha 72.58459350 _cell_angle_beta 72.58459350 _cell_angle_gamma 59.96414354 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaSn2Bi _chemical_formula_sum 'Ba4 Sn8 Bi4' _cell_volume 531.63513382 _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 Ba Ba0 1 0.78645700 0.78645700 0.64036300 1.0 Ba Ba1 1 0.21441500 0.21441500 0.35929900 1.0 Ba Ba2 1 0.37109400 0.37109400 0.88806600 1.0 Ba Ba3 1 0.62907500 0.62907500 0.11306800 1.0 Sn Sn4 1 0.09758800 0.09758800 0.12329700 1.0 Sn Sn5 1 0.68300500 0.09611200 0.12340600 1.0 Sn Sn6 1 0.09611200 0.68300500 0.12340600 1.0 Sn Sn7 1 0.90455300 0.90455300 0.87224300 1.0 Sn Sn8 1 0.31662900 0.90278600 0.87519900 1.0 Sn Sn9 1 0.90278600 0.31662900 0.87519900 1.0 Sn Sn10 1 0.78638800 0.29643300 0.62566900 1.0 Sn Sn11 1 0.29643300 0.78638800 0.62566900 1.0 Bi Bi12 1 0.29692000 0.29692000 0.62345100 1.0 Bi Bi13 1 0.21011300 0.70670000 0.37566800 1.0 Bi Bi14 1 0.70670000 0.21011300 0.37566800 1.0 Bi Bi15 1 0.70173500 0.70173500 0.38032700 1.0