# generated using pymatgen data_Y5Hf3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.81085884 _cell_length_b 12.81085775 _cell_length_c 3.95069192 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999774 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y5Hf3(P3Ir4)4 _chemical_formula_sum 'Y5 Hf3 P12 Ir16' _cell_volume 561.51357542 _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 Y Y0 1 0.33333300 0.66666700 0.00000000 1.0 Y Y1 1 0.66666700 0.33333300 0.00000000 1.0 Y Y2 1 0.81596177 1.00000000 0.50000000 1.0 Y Y3 1 0.00000000 0.81596177 0.50000000 1.0 Y Y4 1 0.18403823 0.18403823 0.50000000 1.0 Hf Hf5 1 0.44902544 0.00000000 0.00000000 1.0 Hf Hf6 1 1.00000000 0.44902544 0.00000000 1.0 Hf Hf7 1 0.55097456 0.55097456 0.00000000 1.0 P P8 1 0.17513931 0.00000000 0.00000000 1.0 P P9 1 0.00000000 0.17513931 0.00000000 1.0 P P10 1 0.82486069 0.82486069 0.00000000 1.0 P P11 1 0.17018985 0.48223198 0.50000000 1.0 P P12 1 0.51776802 0.68795687 0.50000000 1.0 P P13 1 0.31204313 0.82981015 0.50000000 1.0 P P14 1 0.68795687 0.51776802 0.50000000 1.0 P P15 1 0.82981015 0.31204313 0.50000000 1.0 P P16 1 0.48223198 0.17018985 0.50000000 1.0 P P17 1 0.65064882 1.00000000 0.00000000 1.0 P P18 1 0.00000000 0.65064882 0.00000000 1.0 P P19 1 0.34935118 0.34935118 0.00000000 1.0 Ir Ir20 1 0.35951902 0.49453608 0.50000000 1.0 Ir Ir21 1 0.50546392 0.86498294 0.50000000 1.0 Ir Ir22 1 0.13501706 0.64048098 0.50000000 1.0 Ir Ir23 1 0.86498294 0.50546392 0.50000000 1.0 Ir Ir24 1 0.64048098 0.13501706 0.50000000 1.0 Ir Ir25 1 0.49453608 0.35951902 0.50000000 1.0 Ir Ir26 1 0.17770423 0.37154828 0.00000000 1.0 Ir Ir27 1 0.62845172 0.80615695 0.00000000 1.0 Ir Ir28 1 0.19384305 0.82229577 0.00000000 1.0 Ir Ir29 1 0.80615695 0.62845172 0.00000000 1.0 Ir Ir30 1 0.82229577 0.19384305 0.00000000 1.0 Ir Ir31 1 0.37154828 0.17770423 0.00000000 1.0 Ir Ir32 1 0.28152293 1.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28152293 0.50000000 1.0 Ir Ir34 1 0.71847707 0.71847707 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0