# generated using pymatgen data_NdYFe14B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77146100 _cell_length_b 8.77146100 _cell_length_c 12.08179500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdYFe14B _chemical_formula_sum 'Nd4 Y4 Fe56 B4' _cell_volume 929.55552380 _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 0.23489700 0.76510300 0.50000000 1.0 Nd Nd1 1 0.76510300 0.23489700 0.50000000 1.0 Nd Nd2 1 0.26510300 0.26510300 0.00000000 1.0 Nd Nd3 1 0.73489700 0.73489700 0.00000000 1.0 Y Y4 1 0.64459400 0.64459400 0.50000000 1.0 Y Y5 1 0.35540600 0.35540600 0.50000000 1.0 Y Y6 1 0.85540600 0.14459400 0.00000000 1.0 Y Y7 1 0.14459400 0.85540600 0.00000000 1.0 Fe Fe8 1 0.18222500 0.81777500 0.25294600 1.0 Fe Fe9 1 0.81777500 0.18222500 0.25294600 1.0 Fe Fe10 1 0.31777500 0.31777500 0.75294600 1.0 Fe Fe11 1 0.68222500 0.68222500 0.75294600 1.0 Fe Fe12 1 0.81777500 0.18222500 0.74705400 1.0 Fe Fe13 1 0.18222500 0.81777500 0.74705400 1.0 Fe Fe14 1 0.68222500 0.68222500 0.24705400 1.0 Fe Fe15 1 0.31777500 0.31777500 0.24705400 1.0 Fe Fe16 1 0.40295500 0.59704500 0.29811600 1.0 Fe Fe17 1 0.59704500 0.40295500 0.29811600 1.0 Fe Fe18 1 0.09704500 0.09704500 0.79811600 1.0 Fe Fe19 1 0.90295500 0.90295500 0.79811600 1.0 Fe Fe20 1 0.59704500 0.40295500 0.70188400 1.0 Fe Fe21 1 0.40295500 0.59704500 0.70188400 1.0 Fe Fe22 1 0.90295500 0.90295500 0.20188400 1.0 Fe Fe23 1 0.09704500 0.09704500 0.20188400 1.0 Fe Fe24 1 0.14084400 0.53604700 0.32419700 1.0 Fe Fe25 1 0.85915600 0.46395300 0.32419700 1.0 Fe Fe26 1 0.35915600 0.03604700 0.82419700 1.0 Fe Fe27 1 0.64084400 0.96395300 0.82419700 1.0 Fe Fe28 1 0.85915600 0.46395300 0.67580300 1.0 Fe Fe29 1 0.14084400 0.53604700 0.67580300 1.0 Fe Fe30 1 0.64084400 0.96395300 0.17580300 1.0 Fe Fe31 1 0.35915600 0.03604700 0.17580300 1.0 Fe Fe32 1 0.53604700 0.14084400 0.32419700 1.0 Fe Fe33 1 0.46395300 0.85915600 0.32419700 1.0 Fe Fe34 1 0.03604700 0.35915600 0.82419700 1.0 Fe Fe35 1 0.96395300 0.64084400 0.82419700 1.0 Fe Fe36 1 0.46395300 0.85915600 0.67580300 1.0 Fe Fe37 1 0.53604700 0.14084400 0.67580300 1.0 Fe Fe38 1 0.96395300 0.64084400 0.17580300 1.0 Fe Fe39 1 0.03604700 0.35915600 0.17580300 1.0 Fe Fe40 1 0.50000000 0.50000000 0.11476600 1.0 Fe Fe41 1 0.00000000 0.00000000 0.61476600 1.0 Fe Fe42 1 0.50000000 0.50000000 0.88523400 1.0 Fe Fe43 1 0.00000000 0.00000000 0.38523400 1.0 Fe Fe44 1 0.93250500 0.72453500 0.37271200 1.0 Fe Fe45 1 0.06749500 0.27546500 0.37271200 1.0 Fe Fe46 1 0.56749500 0.22453500 0.87271200 1.0 Fe Fe47 1 0.43250500 0.77546500 0.87271200 1.0 Fe Fe48 1 0.06749500 0.27546500 0.62728800 1.0 Fe Fe49 1 0.93250500 0.72453500 0.62728800 1.0 Fe Fe50 1 0.43250500 0.77546500 0.12728800 1.0 Fe Fe51 1 0.56749500 0.22453500 0.12728800 1.0 Fe Fe52 1 0.72453500 0.93250500 0.37271200 1.0 Fe Fe53 1 0.27546500 0.06749500 0.37271200 1.0 Fe Fe54 1 0.22453500 0.56749500 0.87271200 1.0 Fe Fe55 1 0.77546500 0.43250500 0.87271200 1.0 Fe Fe56 1 0.27546500 0.06749500 0.62728800 1.0 Fe Fe57 1 0.72453500 0.93250500 0.62728800 1.0 Fe Fe58 1 0.77546500 0.43250500 0.12728800 1.0 Fe Fe59 1 0.22453500 0.56749500 0.12728800 1.0 Fe Fe60 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe61 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe62 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe63 1 0.00000000 0.50000000 0.00000000 1.0 B B64 1 0.87504600 0.87504600 0.50000000 1.0 B B65 1 0.12495400 0.12495400 0.50000000 1.0 B B66 1 0.62495400 0.37504600 0.00000000 1.0 B B67 1 0.37504600 0.62495400 0.00000000 1.0