# generated using pymatgen data_Nd4V3Fe25B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84306026 _cell_length_b 8.84306026 _cell_length_c 12.21468400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.97202290 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4V3Fe25B2 _chemical_formula_sum 'Nd8 V6 Fe50 B4' _cell_volume 955.18469160 _cell_formula_units_Z 2 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 0.23632400 0.76367600 0.49960500 1.0 Nd Nd1 1 0.76367600 0.23632400 0.49960500 1.0 Nd Nd2 1 0.26335400 0.26335400 0.99715000 1.0 Nd Nd3 1 0.73664600 0.73664600 0.99715000 1.0 Nd Nd4 1 0.64161800 0.64161800 0.50466600 1.0 Nd Nd5 1 0.35838200 0.35838200 0.50466600 1.0 Nd Nd6 1 0.85738800 0.14261200 0.00027000 1.0 Nd Nd7 1 0.14261200 0.85738800 0.00027000 1.0 V V8 1 0.68932400 0.68932400 0.24972900 1.0 V V9 1 0.31067600 0.31067600 0.24972900 1.0 V V10 1 0.50000000 0.50000000 0.12034700 1.0 V V11 1 0.00000000 0.00000000 0.62460300 1.0 V V12 1 0.50000000 0.50000000 0.87485200 1.0 V V13 1 0.00000000 0.00000000 0.37541500 1.0 Fe Fe14 1 0.39998500 0.60001500 0.29184200 1.0 Fe Fe15 1 0.60001500 0.39998500 0.29184200 1.0 Fe Fe16 1 0.09972900 0.09972900 0.79500000 1.0 Fe Fe17 1 0.90027100 0.90027100 0.79500000 1.0 Fe Fe18 1 0.59954800 0.40045200 0.70518800 1.0 Fe Fe19 1 0.40045200 0.59954800 0.70518800 1.0 Fe Fe20 1 0.90072300 0.90072300 0.20423900 1.0 Fe Fe21 1 0.09927700 0.09927700 0.20423900 1.0 Fe Fe22 1 0.13977000 0.53940400 0.32345300 1.0 Fe Fe23 1 0.86023000 0.46059600 0.32345300 1.0 Fe Fe24 1 0.36070500 0.03723700 0.82312400 1.0 Fe Fe25 1 0.63929500 0.96276300 0.82312400 1.0 Fe Fe26 1 0.86075900 0.46205000 0.67657100 1.0 Fe Fe27 1 0.13924100 0.53794900 0.67657100 1.0 Fe Fe28 1 0.63949400 0.96299000 0.17678900 1.0 Fe Fe29 1 0.36050600 0.03701000 0.17678900 1.0 Fe Fe30 1 0.53940400 0.13977000 0.32345300 1.0 Fe Fe31 1 0.46059600 0.86023000 0.32345300 1.0 Fe Fe32 1 0.03723700 0.36070500 0.82312400 1.0 Fe Fe33 1 0.96276300 0.63929500 0.82312400 1.0 Fe Fe34 1 0.46205000 0.86075900 0.67657100 1.0 Fe Fe35 1 0.53794900 0.13924100 0.67657100 1.0 Fe Fe36 1 0.96299000 0.63949400 0.17678900 1.0 Fe Fe37 1 0.03701000 0.36050600 0.17678900 1.0 Fe Fe38 1 0.93260200 0.72248500 0.37411400 1.0 Fe Fe39 1 0.06739800 0.27751500 0.37411400 1.0 Fe Fe40 1 0.56701700 0.22338600 0.87330900 1.0 Fe Fe41 1 0.43298300 0.77661400 0.87330900 1.0 Fe Fe42 1 0.06653800 0.27631200 0.62651300 1.0 Fe Fe43 1 0.93346200 0.72368800 0.62651300 1.0 Fe Fe44 1 0.43512900 0.77685900 0.12669300 1.0 Fe Fe45 1 0.56487100 0.22314100 0.12669300 1.0 Fe Fe46 1 0.72248500 0.93260200 0.37411400 1.0 Fe Fe47 1 0.27751500 0.06739800 0.37411400 1.0 Fe Fe48 1 0.22338600 0.56701700 0.87330900 1.0 Fe Fe49 1 0.77661400 0.43298300 0.87330900 1.0 Fe Fe50 1 0.27631200 0.06653800 0.62651300 1.0 Fe Fe51 1 0.72368800 0.93346200 0.62651300 1.0 Fe Fe52 1 0.77685900 0.43512900 0.12669300 1.0 Fe Fe53 1 0.22314100 0.56487100 0.12669300 1.0 Fe Fe54 1 0.00000000 0.50000000 0.49977800 1.0 Fe Fe55 1 0.50000000 0.00000000 0.00118800 1.0 Fe Fe56 1 0.50000000 0.00000000 0.49977800 1.0 Fe Fe57 1 0.00000000 0.50000000 0.00118800 1.0 Fe Fe58 1 0.18365600 0.81634400 0.25283900 1.0 Fe Fe59 1 0.81634400 0.18365600 0.25283900 1.0 Fe Fe60 1 0.31594900 0.31594900 0.75356800 1.0 Fe Fe61 1 0.68405100 0.68405100 0.75356800 1.0 Fe Fe62 1 0.81603500 0.18396500 0.74682500 1.0 Fe Fe63 1 0.18396500 0.81603500 0.74682500 1.0 B B64 1 0.87032900 0.87032900 0.49950800 1.0 B B65 1 0.12967100 0.12967100 0.49950800 1.0 B B66 1 0.63079300 0.36920700 0.99986400 1.0 B B67 1 0.36920700 0.63079300 0.99986400 1.0