# generated using pymatgen data_Ce16LuAl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.59156949 _cell_length_b 9.59157042 _cell_length_c 9.59157050 _cell_angle_alpha 109.47122079 _cell_angle_beta 109.47122275 _cell_angle_gamma 109.47121957 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce16LuAl12 _chemical_formula_sum 'Ce16 Lu1 Al12' _cell_volume 679.27749033 _cell_formula_units_Z 1 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 1.00000000 0.37645727 1.00000000 1.0 Ce Ce1 1 0.37645727 0.00000000 0.00000000 1.0 Ce Ce2 1 0.58373841 0.30609629 1.00000000 1.0 Ce Ce3 1 0.30609629 0.58373841 1.00000000 1.0 Ce Ce4 1 0.41626159 0.41626159 0.72235788 1.0 Ce Ce5 1 0.27764212 0.69390371 0.69390371 1.0 Ce Ce6 1 0.69390371 0.27764212 0.69390371 1.0 Ce Ce7 1 0.62354273 0.62354273 0.62354273 1.0 Ce Ce8 1 0.00000000 0.30609629 0.58373841 1.0 Ce Ce9 1 0.30609629 1.00000000 0.58373841 1.0 Ce Ce10 1 0.41626159 0.72235788 0.41626159 1.0 Ce Ce11 1 0.72235788 0.41626159 0.41626159 1.0 Ce Ce12 1 0.00000000 0.00000000 0.37645727 1.0 Ce Ce13 1 0.58373841 1.00000000 0.30609629 1.0 Ce Ce14 1 0.00000000 0.58373841 0.30609629 1.0 Ce Ce15 1 0.69390371 0.69390371 0.27764212 1.0 Lu Lu16 1 0.00000000 0.00000000 0.00000000 1.0 Al Al17 1 0.82302810 0.64691665 0.00000000 1.0 Al Al18 1 0.64691665 0.82302810 0.00000000 1.0 Al Al19 1 0.17697190 0.17697190 0.82388855 1.0 Al Al20 1 1.00000000 0.64691665 0.82302810 1.0 Al Al21 1 0.64691665 0.00000000 0.82302810 1.0 Al Al22 1 0.82302810 0.00000000 0.64691665 1.0 Al Al23 1 1.00000000 0.82302810 0.64691665 1.0 Al Al24 1 0.35308335 0.17611145 0.35308335 1.0 Al Al25 1 0.17611145 0.35308335 0.35308335 1.0 Al Al26 1 0.17697190 0.82388855 0.17697190 1.0 Al Al27 1 0.82388855 0.17697190 0.17697190 1.0 Al Al28 1 0.35308335 0.35308335 0.17611145 1.0