# generated using pymatgen data_Pr2Fe14B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78314700 _cell_length_b 8.78314700 _cell_length_c 12.17150300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Fe14B _chemical_formula_sum 'Pr8 Fe56 B4' _cell_volume 938.95442573 _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 Pr Pr0 1 0.23110400 0.76889600 0.50000000 1.0 Pr Pr1 1 0.85761500 0.14238500 0.00000000 1.0 Pr Pr2 1 0.64238500 0.64238500 0.50000000 1.0 Pr Pr3 1 0.14238500 0.85761500 0.00000000 1.0 Pr Pr4 1 0.35761500 0.35761500 0.50000000 1.0 Pr Pr5 1 0.73110400 0.73110400 0.00000000 1.0 Pr Pr6 1 0.26889600 0.26889600 0.00000000 1.0 Pr Pr7 1 0.76889600 0.23110400 0.50000000 1.0 Fe Fe8 1 0.18194200 0.81805800 0.74567200 1.0 Fe Fe9 1 0.13960600 0.53695700 0.67660800 1.0 Fe Fe10 1 0.40184600 0.59815400 0.29376900 1.0 Fe Fe11 1 0.46304300 0.86039400 0.67660800 1.0 Fe Fe12 1 0.96304300 0.63960600 0.17660800 1.0 Fe Fe13 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe14 1 0.50000000 0.50000000 0.88569800 1.0 Fe Fe15 1 0.68194200 0.68194200 0.24567200 1.0 Fe Fe16 1 0.53695700 0.13960600 0.67660800 1.0 Fe Fe17 1 0.77536900 0.43238600 0.87237100 1.0 Fe Fe18 1 0.36039400 0.03695700 0.17660800 1.0 Fe Fe19 1 0.90184600 0.90184600 0.20623100 1.0 Fe Fe20 1 0.00000000 0.00000000 0.61430200 1.0 Fe Fe21 1 0.96304300 0.63960600 0.82339200 1.0 Fe Fe22 1 0.81805800 0.18194200 0.25432800 1.0 Fe Fe23 1 0.00000000 0.00000000 0.38569800 1.0 Fe Fe24 1 0.50000000 0.50000000 0.11430200 1.0 Fe Fe25 1 0.13960600 0.53695700 0.32339200 1.0 Fe Fe26 1 0.31805800 0.31805800 0.24567200 1.0 Fe Fe27 1 0.06761400 0.27536900 0.37237100 1.0 Fe Fe28 1 0.53695700 0.13960600 0.32339200 1.0 Fe Fe29 1 0.03695700 0.36039400 0.82339200 1.0 Fe Fe30 1 0.09815400 0.09815400 0.79376900 1.0 Fe Fe31 1 0.72463100 0.93238600 0.62762900 1.0 Fe Fe32 1 0.43238600 0.77536900 0.12762900 1.0 Fe Fe33 1 0.93238600 0.72463100 0.62762900 1.0 Fe Fe34 1 0.93238600 0.72463100 0.37237100 1.0 Fe Fe35 1 0.68194200 0.68194200 0.75432800 1.0 Fe Fe36 1 0.46304300 0.86039400 0.32339200 1.0 Fe Fe37 1 0.63960600 0.96304300 0.17660800 1.0 Fe Fe38 1 0.09815400 0.09815400 0.20623100 1.0 Fe Fe39 1 0.03695700 0.36039400 0.17660800 1.0 Fe Fe40 1 0.22463100 0.56761400 0.87237100 1.0 Fe Fe41 1 0.56761400 0.22463100 0.12762900 1.0 Fe Fe42 1 0.81805800 0.18194200 0.74567200 1.0 Fe Fe43 1 0.86039400 0.46304300 0.32339200 1.0 Fe Fe44 1 0.06761400 0.27536900 0.62762900 1.0 Fe Fe45 1 0.86039400 0.46304300 0.67660800 1.0 Fe Fe46 1 0.31805800 0.31805800 0.75432800 1.0 Fe Fe47 1 0.36039400 0.03695700 0.82339200 1.0 Fe Fe48 1 0.27536900 0.06761400 0.37237100 1.0 Fe Fe49 1 0.90184600 0.90184600 0.79376900 1.0 Fe Fe50 1 0.63960600 0.96304300 0.82339200 1.0 Fe Fe51 1 0.22463100 0.56761400 0.12762900 1.0 Fe Fe52 1 0.27536900 0.06761400 0.62762900 1.0 Fe Fe53 1 0.77536900 0.43238600 0.12762900 1.0 Fe Fe54 1 0.59815400 0.40184600 0.29376900 1.0 Fe Fe55 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe56 1 0.72463100 0.93238600 0.37237100 1.0 Fe Fe57 1 0.18194200 0.81805800 0.25432800 1.0 Fe Fe58 1 0.40184600 0.59815400 0.70623100 1.0 Fe Fe59 1 0.56761400 0.22463100 0.87237100 1.0 Fe Fe60 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe61 1 0.59815400 0.40184600 0.70623100 1.0 Fe Fe62 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe63 1 0.43238600 0.77536900 0.87237100 1.0 B B64 1 0.87667700 0.87667700 0.50000000 1.0 B B65 1 0.12332300 0.12332300 0.50000000 1.0 B B66 1 0.62332300 0.37667700 0.00000000 1.0 B B67 1 0.37667700 0.62332300 0.00000000 1.0