# generated using pymatgen data_Tb2Fe14B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73650200 _cell_length_b 8.73650200 _cell_length_c 11.92804700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Fe14B _chemical_formula_sum 'Tb8 Fe56 B4' _cell_volume 910.42568806 _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 0.35646200 0.35646200 0.00000000 1.0 Tb Tb1 1 0.14353800 0.85646200 0.50000000 1.0 Tb Tb2 1 0.85646200 0.14353800 0.50000000 1.0 Tb Tb3 1 0.64353800 0.64353800 0.00000000 1.0 Tb Tb4 1 0.76752100 0.23247900 0.00000000 1.0 Tb Tb5 1 0.26752100 0.26752100 0.50000000 1.0 Tb Tb6 1 0.73247900 0.73247900 0.50000000 1.0 Tb Tb7 1 0.23247900 0.76752100 0.00000000 1.0 Fe Fe8 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe9 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe10 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe11 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe12 1 0.00000000 0.00000000 0.11588300 1.0 Fe Fe13 1 0.50000000 0.50000000 0.61588300 1.0 Fe Fe14 1 0.50000000 0.50000000 0.38411700 1.0 Fe Fe15 1 0.00000000 0.00000000 0.88411700 1.0 Fe Fe16 1 0.09741100 0.09741100 0.29910800 1.0 Fe Fe17 1 0.40258900 0.59741100 0.79910800 1.0 Fe Fe18 1 0.59741100 0.40258900 0.79910800 1.0 Fe Fe19 1 0.59741100 0.40258900 0.20089200 1.0 Fe Fe20 1 0.40258900 0.59741100 0.20089200 1.0 Fe Fe21 1 0.90258900 0.90258900 0.29910800 1.0 Fe Fe22 1 0.09741100 0.09741100 0.70089200 1.0 Fe Fe23 1 0.90258900 0.90258900 0.70089200 1.0 Fe Fe24 1 0.31723900 0.31723900 0.25416700 1.0 Fe Fe25 1 0.18276100 0.81723900 0.75416700 1.0 Fe Fe26 1 0.81723900 0.18276100 0.75416700 1.0 Fe Fe27 1 0.81723900 0.18276100 0.24583300 1.0 Fe Fe28 1 0.18276100 0.81723900 0.24583300 1.0 Fe Fe29 1 0.68276100 0.68276100 0.25416700 1.0 Fe Fe30 1 0.31723900 0.31723900 0.74583300 1.0 Fe Fe31 1 0.68276100 0.68276100 0.74583300 1.0 Fe Fe32 1 0.56640800 0.22453700 0.37361300 1.0 Fe Fe33 1 0.27546300 0.06640800 0.87361300 1.0 Fe Fe34 1 0.72453700 0.93359200 0.87361300 1.0 Fe Fe35 1 0.06640800 0.27546300 0.12638700 1.0 Fe Fe36 1 0.93359200 0.72453700 0.12638700 1.0 Fe Fe37 1 0.43359200 0.77546300 0.37361300 1.0 Fe Fe38 1 0.22453700 0.56640800 0.62638700 1.0 Fe Fe39 1 0.77546300 0.43359200 0.62638700 1.0 Fe Fe40 1 0.43359200 0.77546300 0.62638700 1.0 Fe Fe41 1 0.72453700 0.93359200 0.12638700 1.0 Fe Fe42 1 0.27546300 0.06640800 0.12638700 1.0 Fe Fe43 1 0.93359200 0.72453700 0.87361300 1.0 Fe Fe44 1 0.06640800 0.27546300 0.87361300 1.0 Fe Fe45 1 0.56640800 0.22453700 0.62638700 1.0 Fe Fe46 1 0.77546300 0.43359200 0.37361300 1.0 Fe Fe47 1 0.22453700 0.56640800 0.37361300 1.0 Fe Fe48 1 0.14094900 0.53700900 0.17490800 1.0 Fe Fe49 1 0.96299100 0.64094900 0.67490800 1.0 Fe Fe50 1 0.03700900 0.35905100 0.67490800 1.0 Fe Fe51 1 0.64094900 0.96299100 0.32509200 1.0 Fe Fe52 1 0.35905100 0.03700900 0.32509200 1.0 Fe Fe53 1 0.85905100 0.46299100 0.17490800 1.0 Fe Fe54 1 0.53700900 0.14094900 0.82509200 1.0 Fe Fe55 1 0.46299100 0.85905100 0.82509200 1.0 Fe Fe56 1 0.85905100 0.46299100 0.82509200 1.0 Fe Fe57 1 0.03700900 0.35905100 0.32509200 1.0 Fe Fe58 1 0.96299100 0.64094900 0.32509200 1.0 Fe Fe59 1 0.35905100 0.03700900 0.67490800 1.0 Fe Fe60 1 0.64094900 0.96299100 0.67490800 1.0 Fe Fe61 1 0.14094900 0.53700900 0.82509200 1.0 Fe Fe62 1 0.46299100 0.85905100 0.17490800 1.0 Fe Fe63 1 0.53700900 0.14094900 0.17490800 1.0 B B64 1 0.12428100 0.12428100 0.00000000 1.0 B B65 1 0.37571900 0.62428100 0.50000000 1.0 B B66 1 0.62428100 0.37571900 0.50000000 1.0 B B67 1 0.87571900 0.87571900 0.00000000 1.0