# generated using pymatgen data_CeNiSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26032000 _cell_length_b 12.47588300 _cell_length_c 18.48736100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeNiSb3 _chemical_formula_sum 'Ce12 Ni12 Sb36' _cell_volume 1443.91872339 _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 Ce Ce0 1 0.93936200 0.30513700 0.25000000 1.0 Ce Ce1 1 0.47314600 0.29992900 0.41645100 1.0 Ce Ce2 1 0.52685400 0.70007100 0.58354900 1.0 Ce Ce3 1 0.47314600 0.29992900 0.08354900 1.0 Ce Ce4 1 0.02685400 0.29992900 0.91645100 1.0 Ce Ce5 1 0.43936200 0.69486300 0.25000000 1.0 Ce Ce6 1 0.97314600 0.70007100 0.08354900 1.0 Ce Ce7 1 0.02685400 0.29992900 0.58354900 1.0 Ce Ce8 1 0.97314600 0.70007100 0.41645100 1.0 Ce Ce9 1 0.56063800 0.30513700 0.75000000 1.0 Ce Ce10 1 0.52685400 0.70007100 0.91645100 1.0 Ce Ce11 1 0.06063800 0.69486300 0.75000000 1.0 Ni Ni12 1 0.82618600 0.89946300 0.82394400 1.0 Ni Ni13 1 0.17381400 0.10053700 0.17605600 1.0 Ni Ni14 1 0.67381400 0.89946300 0.17605600 1.0 Ni Ni15 1 0.25000000 0.89499400 0.00000000 1.0 Ni Ni16 1 0.17381400 0.10053700 0.32394400 1.0 Ni Ni17 1 0.32618600 0.10053700 0.67605600 1.0 Ni Ni18 1 0.32618600 0.10053700 0.82394400 1.0 Ni Ni19 1 0.75000000 0.10500600 0.00000000 1.0 Ni Ni20 1 0.75000000 0.10500600 0.50000000 1.0 Ni Ni21 1 0.25000000 0.89499400 0.50000000 1.0 Ni Ni22 1 0.67381400 0.89946300 0.32394400 1.0 Ni Ni23 1 0.82618600 0.89946300 0.67605600 1.0 Sb Sb24 1 0.70481800 0.50326100 0.33389400 1.0 Sb Sb25 1 0.02546800 0.77035800 0.58439100 1.0 Sb Sb26 1 0.79518200 0.50326100 0.66610600 1.0 Sb Sb27 1 0.95915100 0.97184300 0.41332400 1.0 Sb Sb28 1 0.47453200 0.77035800 0.08439100 1.0 Sb Sb29 1 0.04084900 0.02815700 0.58667600 1.0 Sb Sb30 1 0.20481800 0.49673900 0.16610600 1.0 Sb Sb31 1 0.47453200 0.77035800 0.41560900 1.0 Sb Sb32 1 0.31713200 0.94067000 0.25000000 1.0 Sb Sb33 1 0.52546800 0.22964200 0.58439100 1.0 Sb Sb34 1 0.25000000 0.50362700 0.50000000 1.0 Sb Sb35 1 0.54084900 0.97184300 0.91332400 1.0 Sb Sb36 1 0.29518200 0.49673900 0.66610600 1.0 Sb Sb37 1 0.06086800 0.22989200 0.75000000 1.0 Sb Sb38 1 0.68286800 0.05933000 0.75000000 1.0 Sb Sb39 1 0.95915100 0.97184300 0.08667600 1.0 Sb Sb40 1 0.43913200 0.22989200 0.25000000 1.0 Sb Sb41 1 0.56086800 0.77010800 0.75000000 1.0 Sb Sb42 1 0.93913200 0.77010800 0.25000000 1.0 Sb Sb43 1 0.02546800 0.77035800 0.91560900 1.0 Sb Sb44 1 0.20481800 0.49673900 0.33389400 1.0 Sb Sb45 1 0.29518200 0.49673900 0.83389400 1.0 Sb Sb46 1 0.54084900 0.97184300 0.58667600 1.0 Sb Sb47 1 0.52546800 0.22964200 0.91560900 1.0 Sb Sb48 1 0.75000000 0.49637300 0.00000000 1.0 Sb Sb49 1 0.18286800 0.94067000 0.75000000 1.0 Sb Sb50 1 0.97453200 0.22964200 0.08439100 1.0 Sb Sb51 1 0.04084900 0.02815700 0.91332400 1.0 Sb Sb52 1 0.97453200 0.22964200 0.41560900 1.0 Sb Sb53 1 0.45915100 0.02815700 0.41332400 1.0 Sb Sb54 1 0.25000000 0.50362700 0.00000000 1.0 Sb Sb55 1 0.81713200 0.05933000 0.25000000 1.0 Sb Sb56 1 0.79518200 0.50326100 0.83389400 1.0 Sb Sb57 1 0.70481800 0.50326100 0.16610600 1.0 Sb Sb58 1 0.75000000 0.49637300 0.50000000 1.0 Sb Sb59 1 0.45915100 0.02815700 0.08667600 1.0