# generated using pymatgen data_Tb8Re(B8Ru)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68430126 _cell_length_b 9.17345146 _cell_length_c 11.55140056 _cell_angle_alpha 90.14766680 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb8Re(B8Ru)3 _chemical_formula_sum 'Tb8 Re1 B24 Ru3' _cell_volume 390.41015262 _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 0.00000000 0.32407821 0.41525336 1.0 Tb Tb1 1 0.00000000 0.67931731 0.58860153 1.0 Tb Tb2 1 0.00000000 0.82376559 0.08304077 1.0 Tb Tb3 1 0.00000000 0.17462720 0.91335236 1.0 Tb Tb4 1 0.00000000 0.94301285 0.37064191 1.0 Tb Tb5 1 0.00000000 0.05653700 0.62777689 1.0 Tb Tb6 1 0.00000000 0.44232611 0.12903826 1.0 Tb Tb7 1 0.00000000 0.55620160 0.87227854 1.0 Re Re8 1 0.00000000 0.86235801 0.82114754 1.0 B B9 1 0.50000000 0.55442122 0.43286770 1.0 B B10 1 0.50000000 0.44639000 0.56773297 1.0 B B11 1 0.50000000 0.05389478 0.06786496 1.0 B B12 1 0.50000000 0.94677543 0.93274208 1.0 B B13 1 0.50000000 0.74727708 0.41923217 1.0 B B14 1 0.50000000 0.25334266 0.58039815 1.0 B B15 1 0.50000000 0.24655465 0.08103883 1.0 B B16 1 0.50000000 0.75284138 0.91905079 1.0 B B17 1 0.50000000 0.78934061 0.26639341 1.0 B B18 1 0.50000000 0.21005620 0.73258213 1.0 B B19 1 0.50000000 0.28986400 0.23367209 1.0 B B20 1 0.50000000 0.70913544 0.76657939 1.0 B B21 1 0.50000000 0.63132107 0.18609361 1.0 B B22 1 0.50000000 0.36786961 0.81356640 1.0 B B23 1 0.50000000 0.13206269 0.31407924 1.0 B B24 1 0.50000000 0.86836799 0.68610750 1.0 B B25 1 0.50000000 0.98447707 0.21232897 1.0 B B26 1 0.50000000 0.01671909 0.78728247 1.0 B B27 1 0.50000000 0.48432514 0.28813245 1.0 B B28 1 0.50000000 0.51585543 0.71264125 1.0 B B29 1 0.50000000 0.60764785 0.03091138 1.0 B B30 1 0.50000000 0.39019013 0.97011577 1.0 B B31 1 0.50000000 0.10984519 0.46896923 1.0 B B32 1 0.50000000 0.89125613 0.52940906 1.0 Ru Ru33 1 0.00000000 0.63743547 0.32137836 1.0 Ru Ru34 1 0.00000000 0.36258961 0.67840873 1.0 Ru Ru35 1 0.00000000 0.13791919 0.17929375 1.0