# generated using pymatgen data_Zr5NiSb9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89461000 _cell_length_b 8.89461000 _cell_length_c 8.85376900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5NiSb9 _chemical_formula_sum 'Zr10 Ni2 Sb18' _cell_volume 700.45785141 _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 Zr Zr0 1 0.50000000 0.00000000 0.25591500 1.0 Zr Zr1 1 0.00000000 0.50000000 0.74408500 1.0 Zr Zr2 1 0.29605800 0.60336300 0.26622300 1.0 Zr Zr3 1 0.70394200 0.39663700 0.26622300 1.0 Zr Zr4 1 0.79605800 0.10336300 0.73377700 1.0 Zr Zr5 1 0.20394200 0.89663700 0.73377700 1.0 Zr Zr6 1 0.39663700 0.29605800 0.73377700 1.0 Zr Zr7 1 0.60336300 0.70394200 0.73377700 1.0 Zr Zr8 1 0.89663700 0.79605800 0.26622300 1.0 Zr Zr9 1 0.10336300 0.20394200 0.26622300 1.0 Ni Ni10 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni11 1 0.00000000 0.00000000 0.00000000 1.0 Sb Sb12 1 0.77318100 0.58408200 0.99895700 1.0 Sb Sb13 1 0.22681900 0.41591800 0.99895700 1.0 Sb Sb14 1 0.27318100 0.08408200 0.00104300 1.0 Sb Sb15 1 0.72681900 0.91591800 0.00104300 1.0 Sb Sb16 1 0.41591800 0.77318100 0.00104300 1.0 Sb Sb17 1 0.58408200 0.22681900 0.00104300 1.0 Sb Sb18 1 0.91591800 0.27318100 0.99895700 1.0 Sb Sb19 1 0.08408200 0.72681900 0.99895700 1.0 Sb Sb20 1 0.00000000 0.50000000 0.39272400 1.0 Sb Sb21 1 0.50000000 0.00000000 0.60727600 1.0 Sb Sb22 1 0.19795300 0.90206900 0.38497500 1.0 Sb Sb23 1 0.80204700 0.09793100 0.38497500 1.0 Sb Sb24 1 0.69795300 0.40206900 0.61502500 1.0 Sb Sb25 1 0.30204700 0.59793100 0.61502500 1.0 Sb Sb26 1 0.09793100 0.19795300 0.61502500 1.0 Sb Sb27 1 0.90206900 0.80204700 0.61502500 1.0 Sb Sb28 1 0.59793100 0.69795300 0.38497500 1.0 Sb Sb29 1 0.40206900 0.30204700 0.38497500 1.0