# generated using pymatgen data_Th3Si6IrPd19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72921896 _cell_length_b 8.72921927 _cell_length_c 8.72921786 _cell_angle_alpha 59.92597230 _cell_angle_beta 59.92597017 _cell_angle_gamma 59.92597038 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th3Si6IrPd19 _chemical_formula_sum 'Th3 Si6 Ir1 Pd19' _cell_volume 469.54934922 _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 0.25370859 0.25370859 0.25370859 1.0 Th Th1 1 0.74857025 0.74857025 0.74857025 1.0 Th Th2 1 0.00019157 0.00019157 0.00019157 1.0 Si Si3 1 0.72649311 0.27074360 0.27074360 1.0 Si Si4 1 0.26837652 0.73228021 0.73228021 1.0 Si Si5 1 0.27074360 0.72649311 0.27074360 1.0 Si Si6 1 0.73228021 0.26837652 0.73228021 1.0 Si Si7 1 0.27074360 0.27074360 0.72649311 1.0 Si Si8 1 0.73228021 0.73228021 0.26837652 1.0 Ir Ir9 1 0.38557976 0.38557976 0.38557976 1.0 Pd Pd10 1 0.61418669 0.61418669 0.61418669 1.0 Pd Pd11 1 0.38324606 0.38324606 0.84919689 1.0 Pd Pd12 1 0.38324606 0.84919689 0.38324606 1.0 Pd Pd13 1 0.61815344 0.61815344 0.15122253 1.0 Pd Pd14 1 0.61815344 0.15122253 0.61815344 1.0 Pd Pd15 1 0.84919689 0.38324606 0.38324606 1.0 Pd Pd16 1 0.15122253 0.61815344 0.61815344 1.0 Pd Pd17 1 0.34652768 0.99856247 0.99856247 1.0 Pd Pd18 1 0.65403250 0.99836703 0.99836703 1.0 Pd Pd19 1 0.99884050 0.34702472 0.65373842 1.0 Pd Pd20 1 0.99884050 0.65373842 0.34702472 1.0 Pd Pd21 1 0.99856247 0.34652768 0.99856247 1.0 Pd Pd22 1 0.65373842 0.99884050 0.34702472 1.0 Pd Pd23 1 0.99836703 0.65403250 0.99836703 1.0 Pd Pd24 1 0.34702472 0.99884050 0.65373842 1.0 Pd Pd25 1 0.99856247 0.99856247 0.34652768 1.0 Pd Pd26 1 0.99836703 0.99836703 0.65403250 1.0 Pd Pd27 1 0.65373842 0.34702472 0.99884050 1.0 Pd Pd28 1 0.34702472 0.65373842 0.99884050 1.0