# generated using pymatgen data_Hf3Ti2Pb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.36523746 _cell_length_b 8.36523695 _cell_length_c 5.62367847 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999811 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Ti2Pb3 _chemical_formula_sum 'Hf6 Ti4 Pb6' _cell_volume 340.80632248 _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 0.23419005 1.00000000 0.25000000 1.0 Hf Hf1 1 0.76580995 0.00000000 0.75000000 1.0 Hf Hf2 1 0.00000000 0.23419005 0.25000000 1.0 Hf Hf3 1 1.00000000 0.76580995 0.75000000 1.0 Hf Hf4 1 0.76580995 0.76580995 0.25000000 1.0 Hf Hf5 1 0.23419005 0.23419005 0.75000000 1.0 Ti Ti6 1 0.33333300 0.66666700 0.00000000 1.0 Ti Ti7 1 0.66666700 0.33333300 0.00000000 1.0 Ti Ti8 1 0.66666700 0.33333300 0.50000000 1.0 Ti Ti9 1 0.33333300 0.66666700 0.50000000 1.0 Pb Pb10 1 0.59971832 1.00000000 0.25000000 1.0 Pb Pb11 1 0.40028168 0.00000000 0.75000000 1.0 Pb Pb12 1 0.00000000 0.59971832 0.25000000 1.0 Pb Pb13 1 1.00000000 0.40028168 0.75000000 1.0 Pb Pb14 1 0.40028168 0.40028168 0.25000000 1.0 Pb Pb15 1 0.59971832 0.59971832 0.75000000 1.0