# generated using pymatgen data_Nd2Fe14B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77600400 _cell_length_b 8.77600400 _cell_length_c 12.11943200 _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 933.41739768 _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 0.85727500 0.14272500 0.00000000 1.0 Nd Nd1 1 0.35727500 0.35727500 0.50000000 1.0 Nd Nd2 1 0.64272500 0.64272500 0.50000000 1.0 Nd Nd3 1 0.14272500 0.85727500 0.00000000 1.0 Nd Nd4 1 0.73157500 0.73157500 0.00000000 1.0 Nd Nd5 1 0.76842500 0.23157500 0.50000000 1.0 Nd Nd6 1 0.23157500 0.76842500 0.50000000 1.0 Nd Nd7 1 0.26842500 0.26842500 0.00000000 1.0 Fe Fe8 1 0.56734500 0.22482500 0.12730000 1.0 Fe Fe9 1 0.43265500 0.77517500 0.12730000 1.0 Fe Fe10 1 0.22482500 0.56734500 0.87270000 1.0 Fe Fe11 1 0.72482500 0.93265500 0.62730000 1.0 Fe Fe12 1 0.27517500 0.06734500 0.62730000 1.0 Fe Fe13 1 0.93265500 0.72482500 0.37270000 1.0 Fe Fe14 1 0.06734500 0.27517500 0.37270000 1.0 Fe Fe15 1 0.77517500 0.43265500 0.87270000 1.0 Fe Fe16 1 0.43265500 0.77517500 0.87270000 1.0 Fe Fe17 1 0.56734500 0.22482500 0.87270000 1.0 Fe Fe18 1 0.77517500 0.43265500 0.12730000 1.0 Fe Fe19 1 0.27517500 0.06734500 0.37270000 1.0 Fe Fe20 1 0.72482500 0.93265500 0.37270000 1.0 Fe Fe21 1 0.06734500 0.27517500 0.62730000 1.0 Fe Fe22 1 0.93265500 0.72482500 0.62730000 1.0 Fe Fe23 1 0.22482500 0.56734500 0.12730000 1.0 Fe Fe24 1 0.36021700 0.03678500 0.17630600 1.0 Fe Fe25 1 0.63978300 0.96321500 0.17630600 1.0 Fe Fe26 1 0.03678500 0.36021700 0.82369400 1.0 Fe Fe27 1 0.53678500 0.13978300 0.67630600 1.0 Fe Fe28 1 0.46321500 0.86021700 0.67630600 1.0 Fe Fe29 1 0.13978300 0.53678500 0.32369400 1.0 Fe Fe30 1 0.86021700 0.46321500 0.32369400 1.0 Fe Fe31 1 0.96321500 0.63978300 0.82369400 1.0 Fe Fe32 1 0.63978300 0.96321500 0.82369400 1.0 Fe Fe33 1 0.36021700 0.03678500 0.82369400 1.0 Fe Fe34 1 0.96321500 0.63978300 0.17630600 1.0 Fe Fe35 1 0.46321500 0.86021700 0.32369400 1.0 Fe Fe36 1 0.53678500 0.13978300 0.32369400 1.0 Fe Fe37 1 0.86021700 0.46321500 0.67630600 1.0 Fe Fe38 1 0.13978300 0.53678500 0.67630600 1.0 Fe Fe39 1 0.03678500 0.36021700 0.17630600 1.0 Fe Fe40 1 0.90205600 0.90205600 0.79537900 1.0 Fe Fe41 1 0.09794400 0.09794400 0.79537900 1.0 Fe Fe42 1 0.90205600 0.90205600 0.20462100 1.0 Fe Fe43 1 0.40205600 0.59794400 0.29537900 1.0 Fe Fe44 1 0.59794400 0.40205600 0.29537900 1.0 Fe Fe45 1 0.59794400 0.40205600 0.70462100 1.0 Fe Fe46 1 0.40205600 0.59794400 0.70462100 1.0 Fe Fe47 1 0.09794400 0.09794400 0.20462100 1.0 Fe Fe48 1 0.68218100 0.68218100 0.75432000 1.0 Fe Fe49 1 0.31781900 0.31781900 0.75432000 1.0 Fe Fe50 1 0.68218100 0.68218100 0.24568000 1.0 Fe Fe51 1 0.18218100 0.81781900 0.25432000 1.0 Fe Fe52 1 0.81781900 0.18218100 0.25432000 1.0 Fe Fe53 1 0.81781900 0.18218100 0.74568000 1.0 Fe Fe54 1 0.18218100 0.81781900 0.74568000 1.0 Fe Fe55 1 0.31781900 0.31781900 0.24568000 1.0 Fe Fe56 1 0.00000000 0.00000000 0.61507900 1.0 Fe Fe57 1 0.50000000 0.50000000 0.11507900 1.0 Fe Fe58 1 0.50000000 0.50000000 0.88492100 1.0 Fe Fe59 1 0.00000000 0.00000000 0.38492100 1.0 Fe Fe60 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe61 1 0.50000000 0.00000000 0.50000000 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 0.62318100 0.37681900 0.00000000 1.0 B B65 1 0.12318100 0.12318100 0.50000000 1.0 B B66 1 0.87681900 0.87681900 0.50000000 1.0 B B67 1 0.37681900 0.62318100 0.00000000 1.0