# generated using pymatgen data_Nd4Sc3Fe25B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90199319 _cell_length_b 8.90199319 _cell_length_c 12.24742100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.79540321 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4Sc3Fe25B2 _chemical_formula_sum 'Nd8 Sc6 Fe50 B4' _cell_volume 970.54660154 _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 0.23717100 0.76282900 0.49915700 1.0 Nd Nd1 1 0.76282900 0.23717100 0.49915700 1.0 Nd Nd2 1 0.26484500 0.26484500 0.00603300 1.0 Nd Nd3 1 0.73515500 0.73515500 0.00603300 1.0 Nd Nd4 1 0.64333800 0.64333800 0.49263200 1.0 Nd Nd5 1 0.35666200 0.35666200 0.49263200 1.0 Nd Nd6 1 0.85658200 0.14341800 0.00120200 1.0 Nd Nd7 1 0.14341800 0.85658200 0.00120200 1.0 Sc Sc8 1 0.18314600 0.81685400 0.25430800 1.0 Sc Sc9 1 0.81685400 0.18314600 0.25430800 1.0 Sc Sc10 1 0.31784000 0.31784000 0.75377200 1.0 Sc Sc11 1 0.68216000 0.68216000 0.75377200 1.0 Sc Sc12 1 0.81762300 0.18237600 0.74594100 1.0 Sc Sc13 1 0.18237600 0.81762300 0.74594100 1.0 Fe Fe14 1 0.40331300 0.59668700 0.29275000 1.0 Fe Fe15 1 0.59668700 0.40331300 0.29275000 1.0 Fe Fe16 1 0.10168900 0.10168900 0.79382700 1.0 Fe Fe17 1 0.89831100 0.89831100 0.79382700 1.0 Fe Fe18 1 0.60188200 0.39811800 0.70706300 1.0 Fe Fe19 1 0.39811800 0.60188200 0.70706300 1.0 Fe Fe20 1 0.89561500 0.89561500 0.20719600 1.0 Fe Fe21 1 0.10438500 0.10438500 0.20719600 1.0 Fe Fe22 1 0.14061100 0.53020100 0.32393000 1.0 Fe Fe23 1 0.85938900 0.46979900 0.32393000 1.0 Fe Fe24 1 0.36515900 0.03475800 0.82519600 1.0 Fe Fe25 1 0.63484100 0.96524200 0.82519600 1.0 Fe Fe26 1 0.86542600 0.46528800 0.67382600 1.0 Fe Fe27 1 0.13457400 0.53471200 0.67382600 1.0 Fe Fe28 1 0.63532400 0.96146700 0.17710400 1.0 Fe Fe29 1 0.36467600 0.03853300 0.17710400 1.0 Fe Fe30 1 0.53020100 0.14061100 0.32393000 1.0 Fe Fe31 1 0.46979900 0.85938900 0.32393000 1.0 Fe Fe32 1 0.03475800 0.36515900 0.82519600 1.0 Fe Fe33 1 0.96524200 0.63484100 0.82519600 1.0 Fe Fe34 1 0.46528800 0.86542600 0.67382600 1.0 Fe Fe35 1 0.53471200 0.13457400 0.67382600 1.0 Fe Fe36 1 0.96146700 0.63532400 0.17710400 1.0 Fe Fe37 1 0.03853300 0.36467600 0.17710400 1.0 Fe Fe38 1 0.93134500 0.72422300 0.37369700 1.0 Fe Fe39 1 0.06865500 0.27577700 0.37369700 1.0 Fe Fe40 1 0.56543600 0.22491400 0.87639700 1.0 Fe Fe41 1 0.43456400 0.77508600 0.87639700 1.0 Fe Fe42 1 0.06598500 0.27518100 0.62377700 1.0 Fe Fe43 1 0.93401500 0.72481900 0.62377700 1.0 Fe Fe44 1 0.43796900 0.77405700 0.12642300 1.0 Fe Fe45 1 0.56203100 0.22594300 0.12642300 1.0 Fe Fe46 1 0.72422300 0.93134500 0.37369700 1.0 Fe Fe47 1 0.27577700 0.06865500 0.37369700 1.0 Fe Fe48 1 0.22491400 0.56543600 0.87639700 1.0 Fe Fe49 1 0.77508600 0.43456400 0.87639700 1.0 Fe Fe50 1 0.27518100 0.06598500 0.62377700 1.0 Fe Fe51 1 0.72481900 0.93401500 0.62377700 1.0 Fe Fe52 1 0.77405700 0.43796900 0.12642300 1.0 Fe Fe53 1 0.22594300 0.56203100 0.12642300 1.0 Fe Fe54 1 0.00000000 0.50000000 0.49769400 1.0 Fe Fe55 1 0.50000000 0.00000000 0.00130100 1.0 Fe Fe56 1 0.50000000 0.00000000 0.49769400 1.0 Fe Fe57 1 0.00000000 0.50000000 0.00130100 1.0 Fe Fe58 1 0.68399100 0.68399100 0.24549100 1.0 Fe Fe59 1 0.31600900 0.31600900 0.24549100 1.0 Fe Fe60 1 0.50000000 0.50000000 0.11220100 1.0 Fe Fe61 1 0.00000000 0.00000000 0.61200800 1.0 Fe Fe62 1 0.50000000 0.50000000 0.88916700 1.0 Fe Fe63 1 0.00000000 0.00000000 0.38735700 1.0 B B64 1 0.87580400 0.87580400 0.49951400 1.0 B B65 1 0.12419600 0.12419600 0.49951400 1.0 B B66 1 0.62536900 0.37463100 0.00104900 1.0 B B67 1 0.37463100 0.62536900 0.00104900 1.0