# generated using pymatgen data_Nd5P12Ir10Ru9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.60967002 _cell_length_b 12.60966990 _cell_length_c 4.00436460 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000545 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5P12Ir10Ru9 _chemical_formula_sum 'Nd5 P12 Ir10 Ru9' _cell_volume 551.40622038 _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 1.00000000 0.18634184 0.50000000 1.0 Nd Nd1 1 0.81365816 0.81365816 0.50000000 1.0 Nd Nd2 1 0.18634184 1.00000000 0.50000000 1.0 Nd Nd3 1 0.66666700 0.33333300 0.00000000 1.0 Nd Nd4 1 0.33333300 0.66666700 0.00000000 1.0 P P5 1 1.00000000 0.81654945 0.00000000 1.0 P P6 1 0.18345055 0.18345055 0.00000000 1.0 P P7 1 0.81654945 1.00000000 0.00000000 1.0 P P8 1 0.69187144 0.17418348 0.50000000 1.0 P P9 1 0.82581652 0.51768796 0.50000000 1.0 P P10 1 0.48231204 0.30812856 0.50000000 1.0 P P11 1 0.17418348 0.69187144 0.50000000 1.0 P P12 1 0.51768796 0.82581652 0.50000000 1.0 P P13 1 0.30812856 0.48231204 0.50000000 1.0 P P14 1 0.00000000 0.36874631 0.00000000 1.0 P P15 1 0.63125369 0.63125369 0.00000000 1.0 P P16 1 0.36874631 0.00000000 0.00000000 1.0 Ir Ir17 1 1.00000000 0.54878729 0.00000000 1.0 Ir Ir18 1 0.45121271 0.45121271 0.00000000 1.0 Ir Ir19 1 0.54878729 1.00000000 0.00000000 1.0 Ir Ir20 1 0.80437560 0.18151937 0.00000000 1.0 Ir Ir21 1 0.81848063 0.62285723 0.00000000 1.0 Ir Ir22 1 0.37714277 0.19562440 0.00000000 1.0 Ir Ir23 1 0.18151937 0.80437560 0.00000000 1.0 Ir Ir24 1 0.62285723 0.81848063 0.00000000 1.0 Ir Ir25 1 0.19562440 0.37714277 0.00000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru27 1 1.00000000 0.70803336 0.50000000 1.0 Ru Ru28 1 0.29196664 0.29196664 0.50000000 1.0 Ru Ru29 1 0.70803336 1.00000000 0.50000000 1.0 Ru Ru30 1 0.87418638 0.36428321 0.50000000 1.0 Ru Ru31 1 0.63571679 0.50990317 0.50000000 1.0 Ru Ru32 1 0.49009683 0.12581362 0.50000000 1.0 Ru Ru33 1 0.36428321 0.87418638 0.50000000 1.0 Ru Ru34 1 0.50990317 0.63571679 0.50000000 1.0 Ru Ru35 1 0.12581362 0.49009683 0.50000000 1.0