# generated using pymatgen data_TbReB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61881767 _cell_length_b 5.97870667 _cell_length_c 11.55830459 _cell_angle_alpha 90.00029350 _cell_angle_beta 90.00001360 _cell_angle_gamma 89.99998648 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbReB4 _chemical_formula_sum 'Tb4 Re4 B16' _cell_volume 250.07373675 _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 0.00000008 0.62626489 0.34964415 1.0 Tb Tb1 1 -0.00000002 0.37372967 0.65032223 1.0 Tb Tb2 1 -0.00000027 0.12626945 0.15032970 1.0 Tb Tb3 1 0.00000010 0.87372371 0.84970446 1.0 Re Re4 1 0.00000043 0.63255494 0.08696952 1.0 Re Re5 1 0.00000028 0.36745052 0.91308789 1.0 Re Re6 1 0.00000002 0.13256270 0.41301624 1.0 Re Re7 1 -0.00000097 0.86744557 0.58692627 1.0 B B8 1 0.50000038 0.78665805 0.18444196 1.0 B B9 1 0.49999989 0.21333881 0.81556516 1.0 B B10 1 0.50000021 0.28666349 0.31555013 1.0 B B11 1 0.49999983 0.71333448 0.68444272 1.0 B B12 1 0.49999999 0.86261053 0.03145349 1.0 B B13 1 0.50000006 0.13738272 0.96856950 1.0 B B14 1 0.50000013 0.36261640 0.46854524 1.0 B B15 1 0.49999984 0.63738065 0.53143146 1.0 B B16 1 0.49999992 0.88634727 0.45284859 1.0 B B17 1 0.49999999 0.11365827 0.54712778 1.0 B B18 1 0.50000012 0.38634968 0.04714713 1.0 B B19 1 0.50000009 0.61365369 0.95287665 1.0 B B20 1 0.49999992 0.97692579 0.30834435 1.0 B B21 1 0.49999984 0.02307744 0.69164835 1.0 B B22 1 0.50000004 0.47692708 0.19164732 1.0 B B23 1 0.50000010 0.52307418 0.80835972 1.0