# generated using pymatgen data_Nd5P12Ir7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.61999311 _cell_length_b 12.65808376 _cell_length_c 3.98270057 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.12748696 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5P12Ir7Ru12 _chemical_formula_sum 'Nd5 P12 Ir7 Ru12' _cell_volume 550.27023560 _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 0.00009201 0.18605421 0.50000000 1.0 Nd Nd1 1 0.81441651 0.81513306 0.50000000 1.0 Nd Nd2 1 0.18499805 0.99958672 0.50000000 1.0 Nd Nd3 1 0.66695580 0.33399296 0.00000000 1.0 Nd Nd4 1 0.33256583 0.66475440 0.00000000 1.0 P P5 1 0.00000748 0.81657812 0.00000000 1.0 P P6 1 0.18360449 0.18323030 0.00000000 1.0 P P7 1 0.81597118 0.00156269 0.00000000 1.0 P P8 1 0.69472766 0.17344049 0.50000000 1.0 P P9 1 0.82808449 0.52273892 0.50000000 1.0 P P10 1 0.47825102 0.30575485 0.50000000 1.0 P P11 1 0.17081160 0.68981950 0.50000000 1.0 P P12 1 0.52093799 0.82367883 0.50000000 1.0 P P13 1 0.30677910 0.47912357 0.50000000 1.0 P P14 1 0.00666794 0.37390634 0.00000000 1.0 P P15 1 0.62654744 0.63288577 0.00000000 1.0 P P16 1 0.36715034 0.99863483 0.00000000 1.0 Ir Ir17 1 0.00039891 0.71322970 0.50000000 1.0 Ir Ir18 1 0.28769638 0.28627384 0.50000000 1.0 Ir Ir19 1 0.71179656 0.00138424 0.50000000 1.0 Ir Ir20 1 0.87234425 0.36656457 0.50000000 1.0 Ir Ir21 1 0.63479355 0.50625785 0.50000000 1.0 Ir Ir22 1 0.49282576 0.12742936 0.50000000 1.0 Ir Ir23 1 0.36541509 0.87176253 0.50000000 1.0 Ru Ru24 1 0.99912884 0.55023523 0.00000000 1.0 Ru Ru25 1 0.45126712 0.44819354 0.00000000 1.0 Ru Ru26 1 0.54920212 0.00191777 0.00000000 1.0 Ru Ru27 1 0.80374968 0.18423812 0.00000000 1.0 Ru Ru28 1 0.81687117 0.62140689 0.00000000 1.0 Ru Ru29 1 0.37940561 0.19584413 0.00000000 1.0 Ru Ru30 1 0.18257893 0.80241253 0.00000000 1.0 Ru Ru31 1 0.61997706 0.82055667 0.00000000 1.0 Ru Ru32 1 0.19954879 0.37875081 0.00000000 1.0 Ru Ru33 1 0.51060088 0.63382859 0.50000000 1.0 Ru Ru34 1 0.12475044 0.48900326 0.50000000 1.0 Ru Ru35 1 0.99908194 0.99983479 0.00000000 1.0