# generated using pymatgen data_Pr5Hf3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.89487874 _cell_length_b 12.89487849 _cell_length_c 4.01466404 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000064 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr5Hf3(P3Ir4)4 _chemical_formula_sum 'Pr5 Hf3 P12 Ir16' _cell_volume 578.11515453 _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 Pr Pr0 1 0.33333300 0.66666700 0.00000000 1.0 Pr Pr1 1 0.66666700 0.33333300 0.00000000 1.0 Pr Pr2 1 0.81349747 0.00000000 0.50000000 1.0 Pr Pr3 1 0.00000000 0.81349747 0.50000000 1.0 Pr Pr4 1 0.18650253 0.18650253 0.50000000 1.0 Hf Hf5 1 0.44670183 0.00000000 0.00000000 1.0 Hf Hf6 1 1.00000000 0.44670183 0.00000000 1.0 Hf Hf7 1 0.55329817 0.55329817 0.00000000 1.0 P P8 1 0.17719190 0.00000000 0.00000000 1.0 P P9 1 0.00000000 0.17719190 0.00000000 1.0 P P10 1 0.82280810 0.82280810 0.00000000 1.0 P P11 1 0.16859805 0.48101442 0.50000000 1.0 P P12 1 0.51898558 0.68758163 0.50000000 1.0 P P13 1 0.31241837 0.83140195 0.50000000 1.0 P P14 1 0.68758163 0.51898558 0.50000000 1.0 P P15 1 0.83140195 0.31241837 0.50000000 1.0 P P16 1 0.48101442 0.16859805 0.50000000 1.0 P P17 1 0.64537267 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.64537267 0.00000000 1.0 P P19 1 0.35462733 0.35462733 0.00000000 1.0 Ir Ir20 1 0.35915687 0.49088996 0.50000000 1.0 Ir Ir21 1 0.50911004 0.86826692 0.50000000 1.0 Ir Ir22 1 0.13173308 0.64084313 0.50000000 1.0 Ir Ir23 1 0.86826692 0.50911004 0.50000000 1.0 Ir Ir24 1 0.64084313 0.13173308 0.50000000 1.0 Ir Ir25 1 0.49088996 0.35915687 0.50000000 1.0 Ir Ir26 1 0.17730199 0.37470028 0.00000000 1.0 Ir Ir27 1 0.62529972 0.80260370 0.00000000 1.0 Ir Ir28 1 0.19739630 0.82269801 0.00000000 1.0 Ir Ir29 1 0.80260370 0.62529972 0.00000000 1.0 Ir Ir30 1 0.82269801 0.19739630 0.00000000 1.0 Ir Ir31 1 0.37470028 0.17730199 0.00000000 1.0 Ir Ir32 1 0.28386092 0.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28386092 0.50000000 1.0 Ir Ir34 1 0.71613908 0.71613908 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0