# generated using pymatgen data_Nd12Ga5Si3Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69729317 _cell_length_b 8.11127645 _cell_length_c 13.52508959 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.24902311 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd12Ga5Si3Ir8 _chemical_formula_sum 'Nd12 Ga5 Si3 Ir8' _cell_volume 625.01986372 _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 0.85316567 0.89264818 0.59934341 1.0 Nd Nd1 1 0.14603056 0.39429247 0.90015567 1.0 Nd Nd2 1 0.85399212 0.60595690 0.10226851 1.0 Nd Nd3 1 0.62615507 0.24841357 0.75000000 1.0 Nd Nd4 1 0.63653167 0.24999179 0.25000000 1.0 Nd Nd5 1 0.85399212 0.60595690 0.39773149 1.0 Nd Nd6 1 0.36545123 0.75230743 0.25000000 1.0 Nd Nd7 1 0.14608711 0.10702124 0.10189546 1.0 Nd Nd8 1 0.14608711 0.10702124 0.39810454 1.0 Nd Nd9 1 0.36513093 0.75043446 0.75000000 1.0 Nd Nd10 1 0.14603056 0.39429247 0.59984433 1.0 Nd Nd11 1 0.85316567 0.89264818 0.90065659 1.0 Ga Ga12 1 0.38107570 0.74861390 0.49873114 1.0 Ga Ga13 1 0.38107570 0.74861390 0.00126886 1.0 Ga Ga14 1 0.13654367 0.09931205 0.75000000 1.0 Ga Ga15 1 0.61998373 0.25179928 0.49846700 1.0 Ga Ga16 1 0.61998373 0.25179928 0.00153300 1.0 Si Si17 1 0.15168563 0.40038750 0.25000000 1.0 Si Si18 1 0.85173141 0.89980983 0.25000000 1.0 Si Si19 1 0.85135983 0.59768777 0.75000000 1.0 Ir Ir20 1 0.35782801 0.02873511 0.91115820 1.0 Ir Ir21 1 0.35660581 0.47091765 0.09455589 1.0 Ir Ir22 1 0.64737168 0.97017514 0.09466753 1.0 Ir Ir23 1 0.64556539 0.53066593 0.90581590 1.0 Ir Ir24 1 0.64737168 0.97017514 0.40533247 1.0 Ir Ir25 1 0.64556539 0.53066593 0.59418410 1.0 Ir Ir26 1 0.35660581 0.47091765 0.40544411 1.0 Ir Ir27 1 0.35782801 0.02873511 0.58884180 1.0