# generated using pymatgen data_NdNiSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23756530 _cell_length_b 12.72674041 _cell_length_c 18.34531071 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdNiSb3 _chemical_formula_sum 'Nd12 Ni12 Sb36' _cell_volume 1456.32184056 _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 0.44285407 0.69448942 0.75000000 1.0 Nd Nd1 1 0.97343318 0.70044764 0.91643150 1.0 Nd Nd2 1 0.52656682 0.70044764 0.08356850 1.0 Nd Nd3 1 0.52656682 0.70044764 0.41643150 1.0 Nd Nd4 1 0.47343318 0.29955236 0.58356850 1.0 Nd Nd5 1 0.47343318 0.29955236 0.91643150 1.0 Nd Nd6 1 0.55714593 0.30551058 0.25000000 1.0 Nd Nd7 1 0.05714593 0.69448942 0.25000000 1.0 Nd Nd8 1 0.94285407 0.30551058 0.75000000 1.0 Nd Nd9 1 0.02656682 0.29955236 0.41643150 1.0 Nd Nd10 1 0.97343318 0.70044764 0.58356850 1.0 Nd Nd11 1 0.02656682 0.29955236 0.08356850 1.0 Ni Ni12 1 0.75000000 0.10070338 0.00000000 1.0 Ni Ni13 1 0.25000000 0.89929662 0.50000000 1.0 Ni Ni14 1 0.75000000 0.10070338 0.50000000 1.0 Ni Ni15 1 0.25000000 0.89929662 0.00000000 1.0 Ni Ni16 1 0.32576278 0.09664306 0.17548787 1.0 Ni Ni17 1 0.67423722 0.90335694 0.82451213 1.0 Ni Ni18 1 0.17423722 0.09664306 0.67548787 1.0 Ni Ni19 1 0.32576278 0.09664306 0.32451213 1.0 Ni Ni20 1 0.82576278 0.90335694 0.32451213 1.0 Ni Ni21 1 0.17423722 0.09664306 0.82451213 1.0 Ni Ni22 1 0.67423722 0.90335694 0.67548787 1.0 Ni Ni23 1 0.82576278 0.90335694 0.17548787 1.0 Sb Sb24 1 0.04098360 0.02522424 0.08655094 1.0 Sb Sb25 1 0.79159676 0.50350846 0.16607164 1.0 Sb Sb26 1 0.68123195 0.05695876 0.25000000 1.0 Sb Sb27 1 0.75000000 0.49670355 0.00000000 1.0 Sb Sb28 1 0.94586271 0.78185747 0.75000000 1.0 Sb Sb29 1 0.29159676 0.49649154 0.16607164 1.0 Sb Sb30 1 0.25000000 0.50329645 0.00000000 1.0 Sb Sb31 1 0.20840324 0.49649154 0.83392836 1.0 Sb Sb32 1 0.70840324 0.50350846 0.66607164 1.0 Sb Sb33 1 0.79159676 0.50350846 0.33392836 1.0 Sb Sb34 1 0.05413729 0.21814253 0.25000000 1.0 Sb Sb35 1 0.54098360 0.97477576 0.08655094 1.0 Sb Sb36 1 0.97386224 0.22235916 0.58407885 1.0 Sb Sb37 1 0.95901640 0.97477576 0.58655094 1.0 Sb Sb38 1 0.47386224 0.77764084 0.91592115 1.0 Sb Sb39 1 0.52613776 0.22235916 0.08407885 1.0 Sb Sb40 1 0.97386224 0.22235916 0.91592115 1.0 Sb Sb41 1 0.45901640 0.02522424 0.58655094 1.0 Sb Sb42 1 0.54098360 0.97477576 0.41344906 1.0 Sb Sb43 1 0.44586271 0.21814253 0.75000000 1.0 Sb Sb44 1 0.02613776 0.77764084 0.41592115 1.0 Sb Sb45 1 0.55413729 0.78185747 0.25000000 1.0 Sb Sb46 1 0.81876805 0.05695876 0.75000000 1.0 Sb Sb47 1 0.04098360 0.02522424 0.41344906 1.0 Sb Sb48 1 0.52613776 0.22235916 0.41592115 1.0 Sb Sb49 1 0.25000000 0.50329645 0.50000000 1.0 Sb Sb50 1 0.75000000 0.49670355 0.50000000 1.0 Sb Sb51 1 0.45901640 0.02522424 0.91344906 1.0 Sb Sb52 1 0.47386224 0.77764084 0.58407885 1.0 Sb Sb53 1 0.20840324 0.49649154 0.66607164 1.0 Sb Sb54 1 0.31876805 0.94304124 0.75000000 1.0 Sb Sb55 1 0.70840324 0.50350846 0.83392836 1.0 Sb Sb56 1 0.29159676 0.49649154 0.33392836 1.0 Sb Sb57 1 0.02613776 0.77764084 0.08407885 1.0 Sb Sb58 1 0.95901640 0.97477576 0.91344906 1.0 Sb Sb59 1 0.18123195 0.94304124 0.25000000 1.0