# generated using pymatgen data_Th3Pd4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25455085 _cell_length_b 7.25454970 _cell_length_c 3.92770466 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000072 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th3Pd4Au _chemical_formula_sum 'Th3 Pd4 Au1' _cell_volume 179.01542017 _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 Th Th0 1 0.64752278 0.99139934 0.50000000 1.0 Th Th1 1 0.00860066 0.65612345 0.50000000 1.0 Th Th2 1 0.34387655 0.35247722 0.50000000 1.0 Pd Pd3 1 0.23321810 0.00217480 0.00000000 1.0 Pd Pd4 1 0.99782520 0.23104330 0.00000000 1.0 Pd Pd5 1 0.76895670 0.76678190 0.00000000 1.0 Pd Pd6 1 0.33333300 0.66666700 0.00000000 1.0 Au Au7 1 0.66666700 0.33333300 0.00000000 1.0