# generated using pymatgen data_Bi2Pd3S2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27705101 _cell_length_b 7.27705101 _cell_length_c 7.28659957 _cell_angle_alpha 110.42884463 _cell_angle_beta 108.54160603 _cell_angle_gamma 109.39553810 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2Pd3S2 _chemical_formula_sum 'Bi4 Pd6 S4' _cell_volume 297.15319242 _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 Bi Bi0 1 0.74683101 0.98714699 0.73398000 1.0 Bi Bi1 1 0.25316899 0.01285301 0.26602000 1.0 Bi Bi2 1 0.78116294 0.50268452 0.28384746 1.0 Bi Bi3 1 0.21883706 0.49731548 0.71615254 1.0 Pd Pd4 1 -0.00000000 -0.00000000 0.50000000 1.0 Pd Pd5 1 0.50000000 0.50000000 0.50000000 1.0 Pd Pd6 1 0.97030466 0.22099220 0.19129686 1.0 Pd Pd7 1 0.02969534 0.77900780 0.80870314 1.0 Pd Pd8 1 0.27718403 0.77718503 0.50000000 1.0 Pd Pd9 1 0.72281497 0.22281597 0.50000000 1.0 S S10 1 0.25494525 0.49734595 0.19780544 1.0 S S11 1 0.70046049 0.94286119 0.19780544 1.0 S S12 1 0.74505475 0.50265405 0.80219456 1.0 S S13 1 0.29953951 0.05713881 0.80219456 1.0