# generated using pymatgen data_TbNd19(Ir2Ru)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.12782109 _cell_length_b 11.12782109 _cell_length_c 6.61718306 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbNd19(Ir2Ru)4 _chemical_formula_sum 'Tb1 Nd19 Ir8 Ru4' _cell_volume 819.39520500 _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 0.50000000 0.50000000 0.50000000 1.0 Nd Nd1 1 0.29477134 0.08833885 0.38612067 1.0 Nd Nd2 1 0.29439680 0.91152840 0.88574607 1.0 Nd Nd3 1 0.70560320 0.08847160 0.88574607 1.0 Nd Nd4 1 0.70522866 0.91166115 0.38612067 1.0 Nd Nd5 1 0.58822203 0.79328450 0.88581942 1.0 Nd Nd6 1 0.58847542 0.20746890 0.38620464 1.0 Nd Nd7 1 0.41152458 0.79253110 0.38620464 1.0 Nd Nd8 1 0.41177797 0.20671550 0.88581942 1.0 Nd Nd9 1 0.20746890 0.41152458 0.61379536 1.0 Nd Nd10 1 0.20671550 0.58822203 0.11418058 1.0 Nd Nd11 1 0.79328450 0.41177797 0.11418058 1.0 Nd Nd12 1 0.79253110 0.58847542 0.61379536 1.0 Nd Nd13 1 0.91152840 0.70560320 0.11425393 1.0 Nd Nd14 1 0.91166115 0.29477134 0.61387933 1.0 Nd Nd15 1 0.08833885 0.70522866 0.61387933 1.0 Nd Nd16 1 0.08847160 0.29439680 0.11425393 1.0 Nd Nd17 1 0.00000000 0.00000000 0.50000000 1.0 Nd Nd18 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd19 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir20 1 0.84791040 0.15329136 0.24924096 1.0 Ir Ir21 1 0.84670864 0.84791040 0.75075904 1.0 Ir Ir22 1 0.15329136 0.15208960 0.75075904 1.0 Ir Ir23 1 0.15208960 0.84670864 0.24924096 1.0 Ir Ir24 1 0.65102012 0.35062772 0.74548543 1.0 Ir Ir25 1 0.64937228 0.65102012 0.25451457 1.0 Ir Ir26 1 0.35062772 0.34897988 0.25451457 1.0 Ir Ir27 1 0.34897988 0.64937228 0.74548543 1.0 Ru Ru28 1 0.50000000 0.00000000 0.12440721 1.0 Ru Ru29 1 0.50000000 0.00000000 0.62503726 1.0 Ru Ru30 1 0.00000000 0.50000000 0.87559279 1.0 Ru Ru31 1 0.00000000 0.50000000 0.37496274 1.0