# generated using pymatgen data_Nd20Ir9PdRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.22062896 _cell_length_b 11.22062896 _cell_length_c 6.57933590 _cell_angle_alpha 89.88442352 _cell_angle_beta 89.88442352 _cell_angle_gamma 89.91189000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd20Ir9PdRu2 _chemical_formula_sum 'Nd20 Ir9 Pd1 Ru2' _cell_volume 828.35058735 _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 0.08864832 0.29156507 0.11466562 1.0 Nd Nd1 1 0.79317328 0.41009135 0.11557216 1.0 Nd Nd2 1 0.20258682 0.58665562 0.12664286 1.0 Nd Nd3 1 0.90917572 0.70626722 0.11522857 1.0 Nd Nd4 1 0.41334438 0.79741318 0.37335714 1.0 Nd Nd5 1 0.58990865 0.20682672 0.38442784 1.0 Nd Nd6 1 0.29373278 0.09082428 0.38477143 1.0 Nd Nd7 1 0.70843493 0.91135168 0.38533438 1.0 Nd Nd8 1 0.41151210 0.20827582 0.88806692 1.0 Nd Nd9 1 0.70739945 0.09102935 0.88709287 1.0 Nd Nd10 1 0.29264075 0.91653935 0.88609840 1.0 Nd Nd11 1 0.59569039 0.79511736 0.88657147 1.0 Nd Nd12 1 0.08346065 0.70735925 0.61390160 1.0 Nd Nd13 1 0.90897065 0.29260055 0.61290713 1.0 Nd Nd14 1 0.20488264 0.40430961 0.61342853 1.0 Nd Nd15 1 0.79172418 0.58848790 0.61193308 1.0 Nd Nd16 1 0.99961277 0.99900929 0.00092289 1.0 Nd Nd17 1 0.50125530 0.49948922 0.99973895 1.0 Nd Nd18 1 0.50051078 0.49874470 0.50026105 1.0 Nd Nd19 1 0.00099071 0.00038723 0.49907711 1.0 Ir Ir20 1 0.15490955 0.84509045 0.25000000 1.0 Ir Ir21 1 0.34761952 0.34869379 0.25083930 1.0 Ir Ir22 1 0.65130621 0.65238048 0.24916070 1.0 Ir Ir23 1 0.84681707 0.15318293 0.25000000 1.0 Ir Ir24 1 0.15364396 0.15174148 0.75078017 1.0 Ir Ir25 1 0.84825852 0.84635604 0.74921983 1.0 Ir Ir26 1 0.65348715 0.34651285 0.75000000 1.0 Ir Ir27 1 0.50034126 0.99884593 0.62445291 1.0 Ir Ir28 1 0.00115407 0.49965874 0.87554709 1.0 Pd Pd29 1 0.34408987 0.65591013 0.75000000 1.0 Ru Ru30 1 0.00070128 0.49998472 0.37920390 1.0 Ru Ru31 1 0.50001528 0.99929872 0.12079610 1.0