# generated using pymatgen data_NdFeSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14734400 _cell_length_b 12.13396900 _cell_length_c 12.72572900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdFeSb3 _chemical_formula_sum 'Nd8 Fe8 Sb24' _cell_volume 949.23352478 _cell_formula_units_Z 8 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 0.25000000 0.50000000 0.70144100 1.0 Nd Nd1 1 0.75000000 0.00000000 0.29855900 1.0 Nd Nd2 1 0.75000000 0.50000000 0.29855900 1.0 Nd Nd3 1 0.25000000 0.00000000 0.70144100 1.0 Nd Nd4 1 0.22471400 0.25000000 0.30494400 1.0 Nd Nd5 1 0.77528600 0.75000000 0.69505600 1.0 Nd Nd6 1 0.27528600 0.75000000 0.30494400 1.0 Nd Nd7 1 0.72471400 0.25000000 0.69505600 1.0 Fe Fe8 1 0.46148000 0.36142500 0.10036300 1.0 Fe Fe9 1 0.53852000 0.86142500 0.89963700 1.0 Fe Fe10 1 0.03852000 0.63857500 0.10036300 1.0 Fe Fe11 1 0.96148000 0.13857500 0.89963700 1.0 Fe Fe12 1 0.53852000 0.63857500 0.89963700 1.0 Fe Fe13 1 0.46148000 0.13857500 0.10036300 1.0 Fe Fe14 1 0.96148000 0.36142500 0.89963700 1.0 Fe Fe15 1 0.03852000 0.86142500 0.10036300 1.0 Sb Sb16 1 0.25000000 0.50000000 0.97209300 1.0 Sb Sb17 1 0.75000000 0.00000000 0.02790700 1.0 Sb Sb18 1 0.75000000 0.50000000 0.02790700 1.0 Sb Sb19 1 0.25000000 0.00000000 0.97209300 1.0 Sb Sb20 1 0.23133900 0.25000000 0.78362300 1.0 Sb Sb21 1 0.76866100 0.75000000 0.21637700 1.0 Sb Sb22 1 0.26866100 0.75000000 0.78362300 1.0 Sb Sb23 1 0.73133900 0.25000000 0.21637700 1.0 Sb Sb24 1 0.98714500 0.37642200 0.50264800 1.0 Sb Sb25 1 0.01285500 0.87642200 0.49735200 1.0 Sb Sb26 1 0.51285500 0.62357800 0.50264800 1.0 Sb Sb27 1 0.48714500 0.12357800 0.49735200 1.0 Sb Sb28 1 0.01285500 0.62357800 0.49735200 1.0 Sb Sb29 1 0.98714500 0.12357800 0.50264800 1.0 Sb Sb30 1 0.48714500 0.37642200 0.49735200 1.0 Sb Sb31 1 0.51285500 0.87642200 0.50264800 1.0 Sb Sb32 1 0.25000000 0.50000000 0.21930100 1.0 Sb Sb33 1 0.75000000 0.00000000 0.78069900 1.0 Sb Sb34 1 0.75000000 0.50000000 0.78069900 1.0 Sb Sb35 1 0.25000000 0.00000000 0.21930100 1.0 Sb Sb36 1 0.61028300 0.25000000 0.94243700 1.0 Sb Sb37 1 0.38971700 0.75000000 0.05756300 1.0 Sb Sb38 1 0.88971700 0.75000000 0.94243700 1.0 Sb Sb39 1 0.11028300 0.25000000 0.05756300 1.0