# generated using pymatgen data_Hf3Ti2CuPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53039735 _cell_length_b 8.53039557 _cell_length_c 5.73979539 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999935 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Ti2CuPb3 _chemical_formula_sum 'Hf6 Ti4 Cu2 Pb6' _cell_volume 361.71413248 _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 Hf Hf0 1 0.74449389 0.74449389 0.25000000 1.0 Hf Hf1 1 0.25550611 1.00000000 0.25000000 1.0 Hf Hf2 1 0.00000000 0.25550611 0.25000000 1.0 Hf Hf3 1 0.25550611 0.25550611 0.75000000 1.0 Hf Hf4 1 0.74449389 0.00000000 0.75000000 1.0 Hf Hf5 1 1.00000000 0.74449389 0.75000000 1.0 Ti Ti6 1 0.66666700 0.33333300 0.50000000 1.0 Ti Ti7 1 0.33333300 0.66666700 0.50000000 1.0 Ti Ti8 1 0.33333300 0.66666700 0.00000000 1.0 Ti Ti9 1 0.66666700 0.33333300 0.00000000 1.0 Cu Cu10 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu11 1 0.00000000 0.00000000 0.50000000 1.0 Pb Pb12 1 0.39337043 0.39337043 0.25000000 1.0 Pb Pb13 1 0.60662957 0.00000000 0.25000000 1.0 Pb Pb14 1 1.00000000 0.60662957 0.25000000 1.0 Pb Pb15 1 0.60662957 0.60662957 0.75000000 1.0 Pb Pb16 1 0.39337043 1.00000000 0.75000000 1.0 Pb Pb17 1 0.00000000 0.39337043 0.75000000 1.0