# generated using pymatgen data_TbFeB4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42877021 _cell_length_b 5.90351878 _cell_length_c 11.43350165 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbFeB4 _chemical_formula_sum 'Tb4 Fe4 B16' _cell_volume 231.43476034 _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 0.50000000 0.37322588 0.15032015 1.0 Tb Tb1 1 0.50000000 0.62677412 0.84967985 1.0 Tb Tb2 1 0.50000000 0.12677412 0.65032015 1.0 Tb Tb3 1 0.50000000 0.87322588 0.34967985 1.0 Fe Fe4 1 0.50000000 0.37179709 0.41640595 1.0 Fe Fe5 1 0.50000000 0.62820291 0.58359405 1.0 Fe Fe6 1 0.50000000 0.12820291 0.91640595 1.0 Fe Fe7 1 0.50000000 0.87179709 0.08359405 1.0 B B8 1 0.00000000 0.11216562 0.04638611 1.0 B B9 1 0.00000000 0.88783438 0.95361389 1.0 B B10 1 0.00000000 0.38783438 0.54638611 1.0 B B11 1 -0.00000000 0.61216562 0.45361389 1.0 B B12 1 0.00000000 0.13922037 0.46699971 1.0 B B13 1 -0.00000000 0.86077963 0.53300029 1.0 B B14 1 0.00000000 0.36077963 0.96699971 1.0 B B15 1 0.00000000 0.63922037 0.03300029 1.0 B B16 1 0.00000000 0.02272565 0.19013845 1.0 B B17 1 0.00000000 0.97727435 0.80986155 1.0 B B18 1 0.00000000 0.47727435 0.69013845 1.0 B B19 1 0.00000000 0.52272565 0.30986155 1.0 B B20 1 0.00000000 0.21978718 0.31677998 1.0 B B21 1 0.00000000 0.78021282 0.68322002 1.0 B B22 1 0.00000000 0.28021282 0.81677998 1.0 B B23 1 0.00000000 0.71978718 0.18322002 1.0