# generated using pymatgen data_Hf3Th5(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.88736105 _cell_length_b 12.88736218 _cell_length_c 4.05078153 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999962 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Th5(P3Ir4)4 _chemical_formula_sum 'Hf3 Th5 P12 Ir16' _cell_volume 582.63622600 _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 Hf Hf0 1 0.44871447 1.00000000 0.00000000 1.0 Hf Hf1 1 0.00000000 0.44871447 0.00000000 1.0 Hf Hf2 1 0.55128553 0.55128553 0.00000000 1.0 Th Th3 1 0.33333300 0.66666700 0.00000000 1.0 Th Th4 1 0.66666700 0.33333300 0.00000000 1.0 Th Th5 1 0.81607068 0.00000000 0.50000000 1.0 Th Th6 1 1.00000000 0.81607068 0.50000000 1.0 Th Th7 1 0.18392932 0.18392932 0.50000000 1.0 P P8 1 0.17758618 0.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17758618 0.00000000 1.0 P P10 1 0.82241382 0.82241382 0.00000000 1.0 P P11 1 0.16469069 0.48016866 0.50000000 1.0 P P12 1 0.51983134 0.68452103 0.50000000 1.0 P P13 1 0.31547897 0.83530931 0.50000000 1.0 P P14 1 0.68452103 0.51983134 0.50000000 1.0 P P15 1 0.83530931 0.31547897 0.50000000 1.0 P P16 1 0.48016866 0.16469069 0.50000000 1.0 P P17 1 0.64194005 1.00000000 0.00000000 1.0 P P18 1 0.00000000 0.64194005 0.00000000 1.0 P P19 1 0.35805995 0.35805995 0.00000000 1.0 Ir Ir20 1 0.35564265 0.49259298 0.50000000 1.0 Ir Ir21 1 0.50740702 0.86304967 0.50000000 1.0 Ir Ir22 1 0.13695033 0.64435735 0.50000000 1.0 Ir Ir23 1 0.86304967 0.50740702 0.50000000 1.0 Ir Ir24 1 0.64435735 0.13695033 0.50000000 1.0 Ir Ir25 1 0.49259298 0.35564265 0.50000000 1.0 Ir Ir26 1 0.17734468 0.37175044 0.00000000 1.0 Ir Ir27 1 0.62824956 0.80559524 0.00000000 1.0 Ir Ir28 1 0.19440476 0.82265532 0.00000000 1.0 Ir Ir29 1 0.80559524 0.62824956 0.00000000 1.0 Ir Ir30 1 0.82265532 0.19440476 0.00000000 1.0 Ir Ir31 1 0.37175044 0.17734468 0.00000000 1.0 Ir Ir32 1 0.28394036 0.00000000 0.50000000 1.0 Ir Ir33 1 1.00000000 0.28394036 0.50000000 1.0 Ir Ir34 1 0.71605964 0.71605964 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0