# generated using pymatgen data_NdFeSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23706600 _cell_length_b 12.70923800 _cell_length_c 18.49192700 _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 'Nd12 Fe12 Sb36' _cell_volume 1465.82465655 _cell_formula_units_Z 12 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 0.51947200 0.70051400 0.41715600 1.0 Nd Nd1 1 0.54770300 0.30711800 0.25000000 1.0 Nd Nd2 1 0.01947200 0.29948600 0.41715600 1.0 Nd Nd3 1 0.48052800 0.29948600 0.91715600 1.0 Nd Nd4 1 0.04770300 0.69288200 0.25000000 1.0 Nd Nd5 1 0.45229700 0.69288200 0.75000000 1.0 Nd Nd6 1 0.98052800 0.70051400 0.91715600 1.0 Nd Nd7 1 0.51947200 0.70051400 0.08284400 1.0 Nd Nd8 1 0.01947200 0.29948600 0.08284400 1.0 Nd Nd9 1 0.98052800 0.70051400 0.58284400 1.0 Nd Nd10 1 0.48052800 0.29948600 0.58284400 1.0 Nd Nd11 1 0.95229700 0.30711800 0.75000000 1.0 Fe Fe12 1 0.68278600 0.89874100 0.82143700 1.0 Fe Fe13 1 0.18278600 0.10125900 0.67856300 1.0 Fe Fe14 1 0.81721400 0.89874100 0.17856300 1.0 Fe Fe15 1 0.75000000 0.10500200 0.50000000 1.0 Fe Fe16 1 0.31721400 0.10125900 0.32143700 1.0 Fe Fe17 1 0.31721400 0.10125900 0.17856300 1.0 Fe Fe18 1 0.81721400 0.89874100 0.32143700 1.0 Fe Fe19 1 0.75000000 0.10500200 0.00000000 1.0 Fe Fe20 1 0.25000000 0.89499800 0.00000000 1.0 Fe Fe21 1 0.25000000 0.89499800 0.50000000 1.0 Fe Fe22 1 0.18278600 0.10125900 0.82143700 1.0 Fe Fe23 1 0.68278600 0.89874100 0.67856300 1.0 Sb Sb24 1 0.21700700 0.49684900 0.83436700 1.0 Sb Sb25 1 0.96695400 0.97081300 0.58777500 1.0 Sb Sb26 1 0.16742900 0.94122300 0.25000000 1.0 Sb Sb27 1 0.95836700 0.78201900 0.75000000 1.0 Sb Sb28 1 0.03304600 0.02918700 0.41222500 1.0 Sb Sb29 1 0.28299300 0.49684900 0.33436700 1.0 Sb Sb30 1 0.78299300 0.50315100 0.33436700 1.0 Sb Sb31 1 0.04163300 0.21798100 0.25000000 1.0 Sb Sb32 1 0.01615000 0.77933300 0.08456800 1.0 Sb Sb33 1 0.48385000 0.77933300 0.91543200 1.0 Sb Sb34 1 0.71700700 0.50315100 0.83436700 1.0 Sb Sb35 1 0.25000000 0.50274800 0.00000000 1.0 Sb Sb36 1 0.75000000 0.49725200 0.00000000 1.0 Sb Sb37 1 0.01615000 0.77933300 0.41543200 1.0 Sb Sb38 1 0.53304600 0.97081300 0.41222500 1.0 Sb Sb39 1 0.46695400 0.02918700 0.58777500 1.0 Sb Sb40 1 0.25000000 0.50274800 0.50000000 1.0 Sb Sb41 1 0.48385000 0.77933300 0.58456800 1.0 Sb Sb42 1 0.54163300 0.78201900 0.25000000 1.0 Sb Sb43 1 0.45836700 0.21798100 0.75000000 1.0 Sb Sb44 1 0.75000000 0.49725200 0.50000000 1.0 Sb Sb45 1 0.03304600 0.02918700 0.08777500 1.0 Sb Sb46 1 0.78299300 0.50315100 0.16563300 1.0 Sb Sb47 1 0.46695400 0.02918700 0.91222500 1.0 Sb Sb48 1 0.53304600 0.97081300 0.08777500 1.0 Sb Sb49 1 0.33257100 0.94122300 0.75000000 1.0 Sb Sb50 1 0.71700700 0.50315100 0.66563300 1.0 Sb Sb51 1 0.83257100 0.05877700 0.75000000 1.0 Sb Sb52 1 0.51615000 0.22066700 0.41543200 1.0 Sb Sb53 1 0.51615000 0.22066700 0.08456800 1.0 Sb Sb54 1 0.66742900 0.05877700 0.25000000 1.0 Sb Sb55 1 0.28299300 0.49684900 0.16563300 1.0 Sb Sb56 1 0.98385000 0.22066700 0.91543200 1.0 Sb Sb57 1 0.96695400 0.97081300 0.91222500 1.0 Sb Sb58 1 0.98385000 0.22066700 0.58456800 1.0 Sb Sb59 1 0.21700700 0.49684900 0.66563300 1.0