# generated using pymatgen data_Tb4Nd16Ir7Ru5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.07271958 _cell_length_b 11.07271958 _cell_length_c 6.58505547 _cell_angle_alpha 89.98749801 _cell_angle_beta 89.98749801 _cell_angle_gamma 90.02949515 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4Nd16Ir7Ru5 _chemical_formula_sum 'Tb4 Nd16 Ir7 Ru5' _cell_volume 807.36136316 _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 Tb Tb0 1 0.00024672 0.00091067 0.49888639 1.0 Tb Tb1 1 0.99908933 0.99975328 0.00111361 1.0 Tb Tb2 1 0.49943942 0.50046646 0.00023076 1.0 Tb Tb3 1 0.49953354 0.50056058 0.49976924 1.0 Nd Nd4 1 0.29300913 0.08767481 0.38485571 1.0 Nd Nd5 1 0.29193020 0.91300952 0.88500710 1.0 Nd Nd6 1 0.70935945 0.08801872 0.88705272 1.0 Nd Nd7 1 0.70847460 0.91358527 0.38495809 1.0 Nd Nd8 1 0.58731917 0.79278421 0.88451563 1.0 Nd Nd9 1 0.58849327 0.20820550 0.38598612 1.0 Nd Nd10 1 0.41294086 0.79303019 0.38455344 1.0 Nd Nd11 1 0.41329541 0.20752004 0.88477688 1.0 Nd Nd12 1 0.20721579 0.41268083 0.61548437 1.0 Nd Nd13 1 0.20696981 0.58705914 0.11544656 1.0 Nd Nd14 1 0.79179450 0.41150673 0.11401388 1.0 Nd Nd15 1 0.79247996 0.58670459 0.61522312 1.0 Nd Nd16 1 0.91232519 0.70699087 0.11514429 1.0 Nd Nd17 1 0.91198128 0.29064055 0.61294728 1.0 Nd Nd18 1 0.08699048 0.70806980 0.61499290 1.0 Nd Nd19 1 0.08641473 0.29152540 0.11504191 1.0 Ir Ir20 1 0.85158025 0.85047257 0.74925064 1.0 Ir Ir21 1 0.14952743 0.14841975 0.75074936 1.0 Ir Ir22 1 0.14905273 0.85094727 0.25000000 1.0 Ir Ir23 1 0.64739741 0.35260259 0.75000000 1.0 Ir Ir24 1 0.64874167 0.64870645 0.24954062 1.0 Ir Ir25 1 0.35129355 0.35125833 0.25045938 1.0 Ir Ir26 1 0.35118693 0.64881307 0.75000000 1.0 Ru Ru27 1 0.85181170 0.14818830 0.25000000 1.0 Ru Ru28 1 0.50061630 0.00034689 0.12394113 1.0 Ru Ru29 1 0.50018446 0.00034838 0.62463512 1.0 Ru Ru30 1 0.99965162 0.49981554 0.87536488 1.0 Ru Ru31 1 0.99965311 0.49938370 0.37605887 1.0