# generated using pymatgen data_NdErFe14B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75920200 _cell_length_b 8.75920200 _cell_length_c 12.00184500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdErFe14B _chemical_formula_sum 'Nd4 Er4 Fe56 B4' _cell_volume 920.82499120 _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 0.23363000 0.76637000 0.50000000 1.0 Nd Nd1 1 0.76637000 0.23363000 0.50000000 1.0 Nd Nd2 1 0.26637000 0.26637000 0.00000000 1.0 Nd Nd3 1 0.73363000 0.73363000 0.00000000 1.0 Er Er4 1 0.64493000 0.64493000 0.50000000 1.0 Er Er5 1 0.35507000 0.35507000 0.50000000 1.0 Er Er6 1 0.85507000 0.14493000 0.00000000 1.0 Er Er7 1 0.14493000 0.85507000 0.00000000 1.0 Fe Fe8 1 0.93201200 0.72499300 0.37231900 1.0 Fe Fe9 1 0.06798800 0.27500700 0.37231900 1.0 Fe Fe10 1 0.56798800 0.22499300 0.87231900 1.0 Fe Fe11 1 0.43201200 0.77500700 0.87231900 1.0 Fe Fe12 1 0.06798800 0.27500700 0.62768100 1.0 Fe Fe13 1 0.93201200 0.72499300 0.62768100 1.0 Fe Fe14 1 0.43201200 0.77500700 0.12768100 1.0 Fe Fe15 1 0.56798800 0.22499300 0.12768100 1.0 Fe Fe16 1 0.72499300 0.93201200 0.37231900 1.0 Fe Fe17 1 0.27500700 0.06798800 0.37231900 1.0 Fe Fe18 1 0.22499300 0.56798800 0.87231900 1.0 Fe Fe19 1 0.77500700 0.43201200 0.87231900 1.0 Fe Fe20 1 0.27500700 0.06798800 0.62768100 1.0 Fe Fe21 1 0.72499300 0.93201200 0.62768100 1.0 Fe Fe22 1 0.77500700 0.43201200 0.12768100 1.0 Fe Fe23 1 0.22499300 0.56798800 0.12768100 1.0 Fe Fe24 1 0.14074200 0.53554300 0.32478800 1.0 Fe Fe25 1 0.85925800 0.46445700 0.32478800 1.0 Fe Fe26 1 0.35925800 0.03554300 0.82478800 1.0 Fe Fe27 1 0.64074200 0.96445700 0.82478800 1.0 Fe Fe28 1 0.85925800 0.46445700 0.67521200 1.0 Fe Fe29 1 0.14074200 0.53554300 0.67521200 1.0 Fe Fe30 1 0.64074200 0.96445700 0.17521200 1.0 Fe Fe31 1 0.35925800 0.03554300 0.17521200 1.0 Fe Fe32 1 0.53554300 0.14074200 0.32478800 1.0 Fe Fe33 1 0.46445700 0.85925800 0.32478800 1.0 Fe Fe34 1 0.03554300 0.35925800 0.82478800 1.0 Fe Fe35 1 0.96445700 0.64074200 0.82478800 1.0 Fe Fe36 1 0.46445700 0.85925800 0.67521200 1.0 Fe Fe37 1 0.53554300 0.14074200 0.67521200 1.0 Fe Fe38 1 0.96445700 0.64074200 0.17521200 1.0 Fe Fe39 1 0.03554300 0.35925800 0.17521200 1.0 Fe Fe40 1 0.18230200 0.81769800 0.25283500 1.0 Fe Fe41 1 0.81769800 0.18230200 0.25283500 1.0 Fe Fe42 1 0.31769800 0.31769800 0.75283500 1.0 Fe Fe43 1 0.68230200 0.68230200 0.75283500 1.0 Fe Fe44 1 0.81769800 0.18230200 0.74716500 1.0 Fe Fe45 1 0.18230200 0.81769800 0.74716500 1.0 Fe Fe46 1 0.68230200 0.68230200 0.24716500 1.0 Fe Fe47 1 0.31769800 0.31769800 0.24716500 1.0 Fe Fe48 1 0.40319300 0.59680700 0.30070300 1.0 Fe Fe49 1 0.59680700 0.40319300 0.30070300 1.0 Fe Fe50 1 0.09680700 0.09680700 0.80070300 1.0 Fe Fe51 1 0.90319300 0.90319300 0.80070300 1.0 Fe Fe52 1 0.59680700 0.40319300 0.69929700 1.0 Fe Fe53 1 0.40319300 0.59680700 0.69929700 1.0 Fe Fe54 1 0.90319300 0.90319300 0.19929700 1.0 Fe Fe55 1 0.09680700 0.09680700 0.19929700 1.0 Fe Fe56 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe57 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe58 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe59 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe60 1 0.50000000 0.50000000 0.11728600 1.0 Fe Fe61 1 0.00000000 0.00000000 0.61728600 1.0 Fe Fe62 1 0.50000000 0.50000000 0.88271400 1.0 Fe Fe63 1 0.00000000 0.00000000 0.38271400 1.0 B B64 1 0.87623900 0.87623900 0.50000000 1.0 B B65 1 0.12376100 0.12376100 0.50000000 1.0 B B66 1 0.62376100 0.37623900 0.00000000 1.0 B B67 1 0.37623900 0.62376100 0.00000000 1.0