# generated using pymatgen data_TmLuReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61673936 _cell_length_b 9.06083511 _cell_length_c 11.40906140 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmLuReB6 _chemical_formula_sum 'Tm4 Lu4 Re4 B24' _cell_volume 373.88268900 _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 Tm Tm0 1 0.00000000 0.32295738 0.41396317 1.0 Tm Tm1 1 0.00000000 0.67704262 0.58603683 1.0 Tm Tm2 1 0.00000000 0.82295738 0.08603683 1.0 Tm Tm3 1 0.00000000 0.17704262 0.91396317 1.0 Lu Lu4 1 0.00000000 0.94311356 0.36993797 1.0 Lu Lu5 1 0.00000000 0.05688644 0.63006203 1.0 Lu Lu6 1 0.00000000 0.44311356 0.13006203 1.0 Lu Lu7 1 0.00000000 0.55688644 0.86993797 1.0 Re Re8 1 0.00000000 0.63925841 0.32017210 1.0 Re Re9 1 0.00000000 0.36074159 0.67982790 1.0 Re Re10 1 0.00000000 0.13925841 0.17982790 1.0 Re Re11 1 0.00000000 0.86074159 0.82017210 1.0 B B12 1 0.50000000 0.55326529 0.43321141 1.0 B B13 1 0.50000000 0.44673471 0.56678859 1.0 B B14 1 0.50000000 0.05326529 0.06678859 1.0 B B15 1 0.50000000 0.94673471 0.93321141 1.0 B B16 1 0.50000000 0.75081263 0.41909633 1.0 B B17 1 0.50000000 0.24918737 0.58090367 1.0 B B18 1 0.50000000 0.25081263 0.08090367 1.0 B B19 1 0.50000000 0.74918737 0.91909633 1.0 B B20 1 0.50000000 0.79303115 0.26455589 1.0 B B21 1 0.50000000 0.20696885 0.73544411 1.0 B B22 1 0.50000000 0.29303115 0.23544411 1.0 B B23 1 0.50000000 0.70696885 0.76455589 1.0 B B24 1 0.50000000 0.63015575 0.18443156 1.0 B B25 1 0.50000000 0.36984425 0.81556844 1.0 B B26 1 0.50000000 0.13015575 0.31556844 1.0 B B27 1 0.50000000 0.86984425 0.68443156 1.0 B B28 1 0.50000000 0.98116269 0.21217777 1.0 B B29 1 0.50000000 0.01883731 0.78782223 1.0 B B30 1 0.50000000 0.48116269 0.28782223 1.0 B B31 1 0.50000000 0.51883731 0.71217777 1.0 B B32 1 0.50000000 0.59847711 0.02736880 1.0 B B33 1 0.50000000 0.40152289 0.97263120 1.0 B B34 1 0.50000000 0.09847711 0.47263120 1.0 B B35 1 0.50000000 0.90152289 0.52736880 1.0