# generated using pymatgen data_Tb2ReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69914068 _cell_length_b 9.19377027 _cell_length_c 11.57788582 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2ReB6 _chemical_formula_sum 'Tb8 Re4 B24' _cell_volume 393.75289321 _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 0.32382109 0.41388275 1.0 Tb Tb1 1 0.00000000 0.67617891 0.58611725 1.0 Tb Tb2 1 -0.00000000 0.82382109 0.08611725 1.0 Tb Tb3 1 0.00000000 0.17617891 0.91388275 1.0 Tb Tb4 1 -0.00000000 0.94256806 0.36940038 1.0 Tb Tb5 1 -0.00000000 0.05743194 0.63059962 1.0 Tb Tb6 1 0.00000000 0.44256806 0.13059962 1.0 Tb Tb7 1 0.00000000 0.55743194 0.86940038 1.0 Re Re8 1 -0.00000000 0.63837849 0.32082640 1.0 Re Re9 1 0.00000000 0.36162151 0.67917360 1.0 Re Re10 1 -0.00000000 0.13837849 0.17917360 1.0 Re Re11 1 0.00000000 0.86162151 0.82082640 1.0 B B12 1 0.50000000 0.55344910 0.43258267 1.0 B B13 1 0.50000000 0.44655090 0.56741733 1.0 B B14 1 0.50000000 0.05344910 0.06741733 1.0 B B15 1 0.50000000 0.94655090 0.93258267 1.0 B B16 1 0.50000000 0.74827215 0.41807504 1.0 B B17 1 0.50000000 0.25172785 0.58192496 1.0 B B18 1 0.50000000 0.24827215 0.08192496 1.0 B B19 1 0.50000000 0.75172785 0.91807504 1.0 B B20 1 0.50000000 0.79113376 0.26546663 1.0 B B21 1 0.50000000 0.20886624 0.73453337 1.0 B B22 1 0.50000000 0.29113376 0.23453337 1.0 B B23 1 0.50000000 0.70886624 0.76546663 1.0 B B24 1 0.50000000 0.63094873 0.18622969 1.0 B B25 1 0.50000000 0.36905127 0.81377031 1.0 B B26 1 0.50000000 0.13094873 0.31377031 1.0 B B27 1 0.50000000 0.86905127 0.68622969 1.0 B B28 1 0.50000000 0.98324000 0.21167824 1.0 B B29 1 0.50000000 0.01676000 0.78832176 1.0 B B30 1 0.50000000 0.48324000 0.28832176 1.0 B B31 1 0.50000000 0.51676000 0.71167824 1.0 B B32 1 0.50000000 0.60024173 0.02805753 1.0 B B33 1 0.50000000 0.39975827 0.97194247 1.0 B B34 1 0.50000000 0.10024173 0.47194247 1.0 B B35 1 0.50000000 0.89975827 0.52805753 1.0