# generated using pymatgen data_Th3Be2(PPd5)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72756786 _cell_length_b 8.59960075 _cell_length_c 8.59960108 _cell_angle_alpha 60.98696528 _cell_angle_beta 59.50651866 _cell_angle_gamma 59.50652592 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th3Be2(PPd5)4 _chemical_formula_sum 'Th3 Be2 P4 Pd20' _cell_volume 456.18349484 _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 0.25000000 0.25000000 0.25000000 1.0 Th Th1 1 0.75000000 0.75000000 0.75000000 1.0 Th Th2 1 0.00000000 0.00000000 0.00000000 1.0 Be Be3 1 0.73106434 0.26893566 0.26893566 1.0 Be Be4 1 0.26893566 0.73106434 0.73106434 1.0 P P5 1 0.26658753 0.73341247 0.26658753 1.0 P P6 1 0.73341247 0.26658753 0.73341247 1.0 P P7 1 0.26658753 0.26658753 0.73341247 1.0 P P8 1 0.73341247 0.73341247 0.26658753 1.0 Pd Pd9 1 0.38783462 0.38336910 0.38336910 1.0 Pd Pd10 1 0.61216538 0.61663090 0.61663090 1.0 Pd Pd11 1 0.38336910 0.38783462 0.84542617 1.0 Pd Pd12 1 0.38336910 0.84542617 0.38783462 1.0 Pd Pd13 1 0.61663090 0.61216538 0.15457383 1.0 Pd Pd14 1 0.61663090 0.15457383 0.61216538 1.0 Pd Pd15 1 0.84542617 0.38336910 0.38336910 1.0 Pd Pd16 1 0.15457383 0.61663090 0.61663090 1.0 Pd Pd17 1 0.34677621 1.00000000 0.00000000 1.0 Pd Pd18 1 0.65322379 0.00000000 1.00000000 1.0 Pd Pd19 1 1.00000000 0.34677621 0.65322379 1.0 Pd Pd20 1 0.00000000 0.65322379 0.34677621 1.0 Pd Pd21 1 0.99541650 0.34482193 0.00458350 1.0 Pd Pd22 1 0.65517807 0.00458350 0.34482193 1.0 Pd Pd23 1 0.00458350 0.65517807 0.99541650 1.0 Pd Pd24 1 0.34482193 0.99541650 0.65517807 1.0 Pd Pd25 1 0.99541650 0.00458350 0.34482193 1.0 Pd Pd26 1 0.00458350 0.99541650 0.65517807 1.0 Pd Pd27 1 0.65517807 0.34482193 0.00458350 1.0 Pd Pd28 1 0.34482193 0.65517807 0.99541650 1.0