# generated using pymatgen data_TbTaB6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48107780 _cell_length_b 8.96534233 _cell_length_c 11.28415352 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTaB6Ru _chemical_formula_sum 'Tb4 Ta4 B24 Ru4' _cell_volume 352.16775858 _cell_formula_units_Z 4 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 0.32315175 0.41336285 1.0 Tb Tb1 1 0.00000000 0.67684825 0.58663715 1.0 Tb Tb2 1 0.00000000 0.82315175 0.08663715 1.0 Tb Tb3 1 0.00000000 0.17684825 0.91336285 1.0 Ta Ta4 1 0.00000000 0.94719821 0.37531523 1.0 Ta Ta5 1 0.00000000 0.05280179 0.62468477 1.0 Ta Ta6 1 0.00000000 0.44719821 0.12468477 1.0 Ta Ta7 1 0.00000000 0.55280179 0.87531523 1.0 B B8 1 0.50000000 0.55541770 0.43390869 1.0 B B9 1 0.50000000 0.44458230 0.56609131 1.0 B B10 1 0.50000000 0.05541770 0.06609131 1.0 B B11 1 0.50000000 0.94458230 0.93390869 1.0 B B12 1 0.50000000 0.75515747 0.41834377 1.0 B B13 1 0.50000000 0.24484253 0.58165623 1.0 B B14 1 0.50000000 0.25515747 0.08165623 1.0 B B15 1 0.50000000 0.74484253 0.91834377 1.0 B B16 1 0.50000000 0.79927333 0.26314639 1.0 B B17 1 0.50000000 0.20072667 0.73685361 1.0 B B18 1 0.50000000 0.29927333 0.23685361 1.0 B B19 1 0.50000000 0.70072667 0.76314639 1.0 B B20 1 0.50000000 0.62961437 0.18129540 1.0 B B21 1 0.50000000 0.37038563 0.81870460 1.0 B B22 1 0.50000000 0.12961437 0.31870460 1.0 B B23 1 0.50000000 0.87038563 0.68129540 1.0 B B24 1 0.50000000 0.98170482 0.21444530 1.0 B B25 1 0.50000000 0.01829518 0.78555470 1.0 B B26 1 0.50000000 0.48170482 0.28555470 1.0 B B27 1 0.50000000 0.51829518 0.71444530 1.0 B B28 1 0.50000000 0.59946003 0.02655914 1.0 B B29 1 0.50000000 0.40053997 0.97344086 1.0 B B30 1 0.50000000 0.09946003 0.47344086 1.0 B B31 1 0.50000000 0.90053997 0.52655914 1.0 Ru Ru32 1 0.00000000 0.64477343 0.31815680 1.0 Ru Ru33 1 0.00000000 0.35522657 0.68184320 1.0 Ru Ru34 1 0.00000000 0.14477343 0.18184320 1.0 Ru Ru35 1 0.00000000 0.85522657 0.81815680 1.0