# generated using pymatgen data_Nd(FeB)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05541900 _cell_length_b 7.05541900 _cell_length_c 3.80894000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd(FeB)4 _chemical_formula_sum 'Nd2 Fe8 B8' _cell_volume 189.60498531 _cell_formula_units_Z 2 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 Nd Nd0 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd1 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe2 1 0.13203000 0.38831600 0.89255600 1.0 Fe Fe3 1 0.86797000 0.61168400 0.89255600 1.0 Fe Fe4 1 0.88831600 0.36797000 0.39255600 1.0 Fe Fe5 1 0.11168400 0.63203000 0.39255600 1.0 Fe Fe6 1 0.36797000 0.11168400 0.60744400 1.0 Fe Fe7 1 0.63203000 0.88831600 0.60744400 1.0 Fe Fe8 1 0.61168400 0.13203000 0.10744400 1.0 Fe Fe9 1 0.38831600 0.86797000 0.10744400 1.0 B B10 1 0.66519500 0.79827500 0.10563100 1.0 B B11 1 0.33480500 0.20172500 0.10563100 1.0 B B12 1 0.29827500 0.83480500 0.60563100 1.0 B B13 1 0.70172500 0.16519500 0.60563100 1.0 B B14 1 0.83480500 0.70172500 0.39436900 1.0 B B15 1 0.16519500 0.29827500 0.39436900 1.0 B B16 1 0.20172500 0.66519500 0.89436900 1.0 B B17 1 0.79827500 0.33480500 0.89436900 1.0