# generated using pymatgen data_HfTh3Pb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.65251763 _cell_length_b 9.65251802 _cell_length_c 6.38753248 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999866 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTh3Pb5 _chemical_formula_sum 'Hf2 Th6 Pb10' _cell_volume 515.40067587 _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 0.00000000 0.00000000 0.00000000 1.0 Hf Hf1 1 0.00000000 0.00000000 0.50000000 1.0 Th Th2 1 0.61597948 0.00000000 0.25000000 1.0 Th Th3 1 0.38402052 0.00000000 0.75000000 1.0 Th Th4 1 1.00000000 0.61597948 0.25000000 1.0 Th Th5 1 0.00000000 0.38402052 0.75000000 1.0 Th Th6 1 0.38402052 0.38402052 0.25000000 1.0 Th Th7 1 0.61597948 0.61597948 0.75000000 1.0 Pb Pb8 1 0.26465756 0.00000000 0.25000000 1.0 Pb Pb9 1 0.73534244 0.00000000 0.75000000 1.0 Pb Pb10 1 0.00000000 0.26465756 0.25000000 1.0 Pb Pb11 1 1.00000000 0.73534244 0.75000000 1.0 Pb Pb12 1 0.73534244 0.73534244 0.25000000 1.0 Pb Pb13 1 0.26465756 0.26465756 0.75000000 1.0 Pb Pb14 1 0.33333300 0.66666700 0.00000000 1.0 Pb Pb15 1 0.66666700 0.33333300 0.00000000 1.0 Pb Pb16 1 0.66666700 0.33333300 0.50000000 1.0 Pb Pb17 1 0.33333300 0.66666700 0.50000000 1.0