# generated using pymatgen data_Lu5Hf3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.78965385 _cell_length_b 12.78965304 _cell_length_c 3.90961524 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999955 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Hf3(P3Ir4)4 _chemical_formula_sum 'Lu5 Hf3 P12 Ir16' _cell_volume 553.83730568 _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 Lu Lu0 1 0.33333300 0.66666700 0.00000000 1.0 Lu Lu1 1 0.66666700 0.33333300 0.00000000 1.0 Lu Lu2 1 0.81765000 1.00000000 0.50000000 1.0 Lu Lu3 1 0.00000000 0.81765000 0.50000000 1.0 Lu Lu4 1 0.18235000 0.18235000 0.50000000 1.0 Hf Hf5 1 0.44971893 0.00000000 0.00000000 1.0 Hf Hf6 1 1.00000000 0.44971893 0.00000000 1.0 Hf Hf7 1 0.55028107 0.55028107 0.00000000 1.0 P P8 1 0.17404420 0.00000000 0.00000000 1.0 P P9 1 1.00000000 0.17404420 0.00000000 1.0 P P10 1 0.82595580 0.82595580 0.00000000 1.0 P P11 1 0.17095700 0.48275244 0.50000000 1.0 P P12 1 0.51724756 0.68820256 0.50000000 1.0 P P13 1 0.31179744 0.82904300 0.50000000 1.0 P P14 1 0.68820256 0.51724756 0.50000000 1.0 P P15 1 0.82904300 0.31179744 0.50000000 1.0 P P16 1 0.48275244 0.17095700 0.50000000 1.0 P P17 1 0.65316870 1.00000000 0.00000000 1.0 P P18 1 0.00000000 0.65316870 0.00000000 1.0 P P19 1 0.34683130 0.34683130 0.00000000 1.0 Ir Ir20 1 0.35966407 0.49647103 0.50000000 1.0 Ir Ir21 1 0.50352897 0.86319304 0.50000000 1.0 Ir Ir22 1 0.13680696 0.64033593 0.50000000 1.0 Ir Ir23 1 0.86319304 0.50352897 0.50000000 1.0 Ir Ir24 1 0.64033593 0.13680696 0.50000000 1.0 Ir Ir25 1 0.49647103 0.35966407 0.50000000 1.0 Ir Ir26 1 0.17793204 0.36963149 0.00000000 1.0 Ir Ir27 1 0.63036851 0.80830155 0.00000000 1.0 Ir Ir28 1 0.19169845 0.82206796 0.00000000 1.0 Ir Ir29 1 0.80830155 0.63036851 0.00000000 1.0 Ir Ir30 1 0.82206796 0.19169845 0.00000000 1.0 Ir Ir31 1 0.36963149 0.17793204 0.00000000 1.0 Ir Ir32 1 0.28043407 1.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28043407 0.50000000 1.0 Ir Ir34 1 0.71956593 0.71956593 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0