# generated using pymatgen data_Nd4Cr3Fe25B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76496489 _cell_length_b 8.76496489 _cell_length_c 12.13701700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.21821523 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Cr3Fe25B2 _chemical_formula_sum 'Nd8 Cr6 Fe50 B4' _cell_volume 932.41482978 _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 0.23393300 0.76606700 0.49946300 1.0 Nd Nd1 1 0.76606700 0.23393300 0.49946300 1.0 Nd Nd2 1 0.26647000 0.26647000 0.00049100 1.0 Nd Nd3 1 0.73353000 0.73353000 0.00049100 1.0 Nd Nd4 1 0.64187100 0.64187100 0.49957100 1.0 Nd Nd5 1 0.35812900 0.35812900 0.49957100 1.0 Nd Nd6 1 0.85772100 0.14227900 0.00069400 1.0 Nd Nd7 1 0.14227900 0.85772100 0.00069400 1.0 Cr Cr8 1 0.67805000 0.67805000 0.24512000 1.0 Cr Cr9 1 0.32195000 0.32195000 0.24512000 1.0 Cr Cr10 1 0.50000000 0.50000000 0.11730300 1.0 Cr Cr11 1 0.00000000 0.00000000 0.62032700 1.0 Cr Cr12 1 0.50000000 0.50000000 0.87925200 1.0 Cr Cr13 1 0.00000000 0.00000000 0.37779600 1.0 Fe Fe14 1 0.40203000 0.59797000 0.29388400 1.0 Fe Fe15 1 0.59797000 0.40203000 0.29388400 1.0 Fe Fe16 1 0.09952200 0.09952200 0.79394700 1.0 Fe Fe17 1 0.90047800 0.90047800 0.79394700 1.0 Fe Fe18 1 0.59967800 0.40032200 0.70552500 1.0 Fe Fe19 1 0.40032200 0.59967800 0.70552500 1.0 Fe Fe20 1 0.89958900 0.89958900 0.20666100 1.0 Fe Fe21 1 0.10041100 0.10041100 0.20666100 1.0 Fe Fe22 1 0.14049400 0.53769600 0.32381000 1.0 Fe Fe23 1 0.85950600 0.46230400 0.32381000 1.0 Fe Fe24 1 0.35989200 0.03764000 0.82413000 1.0 Fe Fe25 1 0.64010800 0.96236000 0.82413000 1.0 Fe Fe26 1 0.85983200 0.46200200 0.67558900 1.0 Fe Fe27 1 0.14016800 0.53799800 0.67558900 1.0 Fe Fe28 1 0.64082700 0.96129600 0.17645200 1.0 Fe Fe29 1 0.35917300 0.03870400 0.17645200 1.0 Fe Fe30 1 0.53769600 0.14049400 0.32381000 1.0 Fe Fe31 1 0.46230400 0.85950600 0.32381000 1.0 Fe Fe32 1 0.03764000 0.35989200 0.82413000 1.0 Fe Fe33 1 0.96236000 0.64010800 0.82413000 1.0 Fe Fe34 1 0.46200200 0.85983200 0.67558900 1.0 Fe Fe35 1 0.53799800 0.14016800 0.67558900 1.0 Fe Fe36 1 0.96129600 0.64082700 0.17645200 1.0 Fe Fe37 1 0.03870400 0.35917300 0.17645200 1.0 Fe Fe38 1 0.93259000 0.72301000 0.37275200 1.0 Fe Fe39 1 0.06741000 0.27699000 0.37275200 1.0 Fe Fe40 1 0.56714200 0.22346300 0.87352200 1.0 Fe Fe41 1 0.43285800 0.77653700 0.87352200 1.0 Fe Fe42 1 0.06670800 0.27637300 0.62638000 1.0 Fe Fe43 1 0.93329200 0.72362700 0.62638000 1.0 Fe Fe44 1 0.43331400 0.77677000 0.12861900 1.0 Fe Fe45 1 0.56668600 0.22323000 0.12861900 1.0 Fe Fe46 1 0.72301000 0.93259000 0.37275200 1.0 Fe Fe47 1 0.27699000 0.06741000 0.37275200 1.0 Fe Fe48 1 0.22346300 0.56714200 0.87352200 1.0 Fe Fe49 1 0.77653700 0.43285800 0.87352200 1.0 Fe Fe50 1 0.27637300 0.06670800 0.62638000 1.0 Fe Fe51 1 0.72362700 0.93329200 0.62638000 1.0 Fe Fe52 1 0.77677000 0.43331400 0.12861900 1.0 Fe Fe53 1 0.22323000 0.56668600 0.12861900 1.0 Fe Fe54 1 0.00000000 0.50000000 0.49910800 1.0 Fe Fe55 1 0.50000000 0.00000000 0.00106300 1.0 Fe Fe56 1 0.50000000 0.00000000 0.49910800 1.0 Fe Fe57 1 0.00000000 0.50000000 0.00106300 1.0 Fe Fe58 1 0.18123000 0.81877000 0.25414600 1.0 Fe Fe59 1 0.81877000 0.18123000 0.25414600 1.0 Fe Fe60 1 0.31804000 0.31804000 0.75372600 1.0 Fe Fe61 1 0.68196000 0.68196000 0.75372600 1.0 Fe Fe62 1 0.81830500 0.18169500 0.74585800 1.0 Fe Fe63 1 0.18169500 0.81830500 0.74585800 1.0 B B64 1 0.87412900 0.87412900 0.49939500 1.0 B B65 1 0.12587100 0.12587100 0.49939500 1.0 B B66 1 0.62670800 0.37329200 0.00150000 1.0 B B67 1 0.37329200 0.62670800 0.00150000 1.0