# generated using pymatgen data_Nd5Mo3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.69913517 _cell_length_b 12.69913505 _cell_length_c 4.01324079 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000033 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Mo3(P3Ir4)4 _chemical_formula_sum 'Nd5 Mo3 P12 Ir16' _cell_volume 560.49808829 _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 0.50000000 1.0 Nd Nd1 1 0.66666700 0.33333300 0.50000000 1.0 Nd Nd2 1 1.00000000 0.81211548 0.00000000 1.0 Nd Nd3 1 0.18788452 0.18788452 0.00000000 1.0 Nd Nd4 1 0.81211548 0.00000000 0.00000000 1.0 Mo Mo5 1 0.00000000 0.45221057 0.50000000 1.0 Mo Mo6 1 0.54778943 0.54778943 0.50000000 1.0 Mo Mo7 1 0.45221057 0.00000000 0.50000000 1.0 P P8 1 1.00000000 0.63497926 0.50000000 1.0 P P9 1 0.36502074 0.36502074 0.50000000 1.0 P P10 1 0.63497926 0.00000000 0.50000000 1.0 P P11 1 0.51807251 0.68531295 0.00000000 1.0 P P12 1 0.31468705 0.83275956 0.00000000 1.0 P P13 1 0.16724044 0.48192749 0.00000000 1.0 P P14 1 0.48192749 0.16724044 0.00000000 1.0 P P15 1 0.68531295 0.51807251 0.00000000 1.0 P P16 1 0.83275956 0.31468705 0.00000000 1.0 P P17 1 0.00000000 0.17831748 0.50000000 1.0 P P18 1 0.82168252 0.82168252 0.50000000 1.0 P P19 1 0.17831748 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50936874 0.86842080 0.00000000 1.0 Ir Ir21 1 0.13157920 0.64094894 0.00000000 1.0 Ir Ir22 1 0.35905106 0.49063126 0.00000000 1.0 Ir Ir23 1 0.49063126 0.35905106 0.00000000 1.0 Ir Ir24 1 0.86842080 0.50936874 0.00000000 1.0 Ir Ir25 1 0.64094894 0.13157920 0.00000000 1.0 Ir Ir26 1 0.00000000 0.28685678 0.00000000 1.0 Ir Ir27 1 0.71314322 0.71314322 0.00000000 1.0 Ir Ir28 1 0.28685678 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62318836 0.80159513 0.50000000 1.0 Ir Ir30 1 0.19840487 0.82159322 0.50000000 1.0 Ir Ir31 1 0.17840678 0.37681164 0.50000000 1.0 Ir Ir32 1 0.37681164 0.17840678 0.50000000 1.0 Ir Ir33 1 0.80159513 0.62318836 0.50000000 1.0 Ir Ir34 1 0.82159322 0.19840487 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0