# generated using pymatgen data_Nd5Hf3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.87459064 _cell_length_b 12.87458956 _cell_length_c 4.00264287 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000023 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Hf3(P3Ir4)4 _chemical_formula_sum 'Nd5 Hf3 P12 Ir16' _cell_volume 574.57178433 _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 Nd Nd0 1 0.33333300 0.66666700 0.00000000 1.0 Nd Nd1 1 0.66666700 0.33333300 0.00000000 1.0 Nd Nd2 1 0.81382411 1.00000000 0.50000000 1.0 Nd Nd3 1 0.00000000 0.81382411 0.50000000 1.0 Nd Nd4 1 0.18617589 0.18617589 0.50000000 1.0 Hf Hf5 1 0.44708417 0.00000000 0.00000000 1.0 Hf Hf6 1 1.00000000 0.44708417 0.00000000 1.0 Hf Hf7 1 0.55291583 0.55291583 0.00000000 1.0 P P8 1 0.17675972 1.00000000 0.00000000 1.0 P P9 1 0.00000000 0.17675972 0.00000000 1.0 P P10 1 0.82324028 0.82324028 0.00000000 1.0 P P11 1 0.16889345 0.48127175 0.50000000 1.0 P P12 1 0.51872825 0.68762070 0.50000000 1.0 P P13 1 0.31237930 0.83110655 0.50000000 1.0 P P14 1 0.68762070 0.51872825 0.50000000 1.0 P P15 1 0.83110655 0.31237930 0.50000000 1.0 P P16 1 0.48127175 0.16889345 0.50000000 1.0 P P17 1 0.64646263 1.00000000 0.00000000 1.0 P P18 1 0.00000000 0.64646263 0.00000000 1.0 P P19 1 0.35353737 0.35353737 0.00000000 1.0 Ir Ir20 1 0.35920452 0.49144522 0.50000000 1.0 Ir Ir21 1 0.50855478 0.86775930 0.50000000 1.0 Ir Ir22 1 0.13224070 0.64079548 0.50000000 1.0 Ir Ir23 1 0.86775930 0.50855478 0.50000000 1.0 Ir Ir24 1 0.64079548 0.13224070 0.50000000 1.0 Ir Ir25 1 0.49144522 0.35920452 0.50000000 1.0 Ir Ir26 1 0.17742062 0.37421351 0.00000000 1.0 Ir Ir27 1 0.62578649 0.80320811 0.00000000 1.0 Ir Ir28 1 0.19679189 0.82257938 0.00000000 1.0 Ir Ir29 1 0.80320811 0.62578649 0.00000000 1.0 Ir Ir30 1 0.82257938 0.19679189 0.00000000 1.0 Ir Ir31 1 0.37421351 0.17742062 0.00000000 1.0 Ir Ir32 1 0.28324887 1.00000000 0.50000000 1.0 Ir Ir33 1 0.00000000 0.28324887 0.50000000 1.0 Ir Ir34 1 0.71675113 0.71675113 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0