# generated using pymatgen data_Nd2Fe14B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62859900 _cell_length_b 8.62859900 _cell_length_c 12.75007900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Fe14B _chemical_formula_sum 'Nd8 Fe56 B4' _cell_volume 949.27807073 _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 Nd Nd0 1 0.23495600 0.23495600 0.00000000 1.0 Nd Nd1 1 0.69568400 0.69568400 0.50000000 1.0 Nd Nd2 1 0.26504400 0.73495600 0.50000000 1.0 Nd Nd3 1 0.19568400 0.80431600 0.00000000 1.0 Nd Nd4 1 0.80431600 0.19568400 0.00000000 1.0 Nd Nd5 1 0.73495600 0.26504400 0.50000000 1.0 Nd Nd6 1 0.30431600 0.30431600 0.50000000 1.0 Nd Nd7 1 0.76504400 0.76504400 0.00000000 1.0 Fe Fe8 1 0.19778800 0.80221200 0.24900200 1.0 Fe Fe9 1 0.19778800 0.80221200 0.75099800 1.0 Fe Fe10 1 0.52308300 0.14171200 0.32231400 1.0 Fe Fe11 1 0.24364200 0.52966000 0.88192300 1.0 Fe Fe12 1 0.47691700 0.85828800 0.67768600 1.0 Fe Fe13 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe14 1 0.25635800 0.02966000 0.38192300 1.0 Fe Fe15 1 0.97034000 0.74364200 0.61807700 1.0 Fe Fe16 1 0.00000000 0.00000000 0.09430800 1.0 Fe Fe17 1 0.97691700 0.64171200 0.82231400 1.0 Fe Fe18 1 0.00000000 0.00000000 0.90569200 1.0 Fe Fe19 1 0.35828800 0.02308300 0.17768600 1.0 Fe Fe20 1 0.47691700 0.85828800 0.32231400 1.0 Fe Fe21 1 0.02966000 0.25635800 0.38192300 1.0 Fe Fe22 1 0.85828800 0.47691700 0.32231400 1.0 Fe Fe23 1 0.14171200 0.52308300 0.67768600 1.0 Fe Fe24 1 0.74364200 0.97034000 0.38192300 1.0 Fe Fe25 1 0.09987600 0.09987600 0.76051700 1.0 Fe Fe26 1 0.75635800 0.47034000 0.11807700 1.0 Fe Fe27 1 0.69778800 0.69778800 0.74900200 1.0 Fe Fe28 1 0.50000000 0.50000000 0.40569200 1.0 Fe Fe29 1 0.47034000 0.75635800 0.11807700 1.0 Fe Fe30 1 0.35828800 0.02308300 0.82231400 1.0 Fe Fe31 1 0.30221200 0.30221200 0.74900200 1.0 Fe Fe32 1 0.90012400 0.90012400 0.76051700 1.0 Fe Fe33 1 0.14171200 0.52308300 0.32231400 1.0 Fe Fe34 1 0.59987600 0.40012400 0.73948300 1.0 Fe Fe35 1 0.64171200 0.97691700 0.82231400 1.0 Fe Fe36 1 0.25635800 0.02966000 0.61807700 1.0 Fe Fe37 1 0.74364200 0.97034000 0.61807700 1.0 Fe Fe38 1 0.40012400 0.59987600 0.73948300 1.0 Fe Fe39 1 0.90012400 0.90012400 0.23948300 1.0 Fe Fe40 1 0.97691700 0.64171200 0.17768600 1.0 Fe Fe41 1 0.47034000 0.75635800 0.88192300 1.0 Fe Fe42 1 0.80221200 0.19778800 0.75099800 1.0 Fe Fe43 1 0.97034000 0.74364200 0.38192300 1.0 Fe Fe44 1 0.52966000 0.24364200 0.11807700 1.0 Fe Fe45 1 0.09987600 0.09987600 0.23948300 1.0 Fe Fe46 1 0.02308300 0.35828800 0.17768600 1.0 Fe Fe47 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe48 1 0.24364200 0.52966000 0.11807700 1.0 Fe Fe49 1 0.52966000 0.24364200 0.88192300 1.0 Fe Fe50 1 0.85828800 0.47691700 0.67768600 1.0 Fe Fe51 1 0.50000000 0.50000000 0.59430800 1.0 Fe Fe52 1 0.69778800 0.69778800 0.25099800 1.0 Fe Fe53 1 0.52308300 0.14171200 0.67768600 1.0 Fe Fe54 1 0.02966000 0.25635800 0.61807700 1.0 Fe Fe55 1 0.64171200 0.97691700 0.17768600 1.0 Fe Fe56 1 0.59987600 0.40012400 0.26051700 1.0 Fe Fe57 1 0.30221200 0.30221200 0.25099800 1.0 Fe Fe58 1 0.75635800 0.47034000 0.88192300 1.0 Fe Fe59 1 0.02308300 0.35828800 0.82231400 1.0 Fe Fe60 1 0.80221200 0.19778800 0.24900200 1.0 Fe Fe61 1 0.40012400 0.59987600 0.26051700 1.0 Fe Fe62 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe63 1 0.00000000 0.50000000 0.00000000 1.0 B B64 1 0.57254500 0.42745500 0.00000000 1.0 B B65 1 0.07254500 0.07254500 0.50000000 1.0 B B66 1 0.92745500 0.92745500 0.50000000 1.0 B B67 1 0.42745500 0.57254500 0.00000000 1.0