# generated using pymatgen data_Hf2ScTi2Pb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40354615 _cell_length_b 8.36141987 _cell_length_c 5.67563765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.16679406 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2ScTi2Pb3 _chemical_formula_sum 'Hf4 Sc2 Ti4 Pb6' _cell_volume 344.79068743 _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 0.00044652 0.23936079 0.25000000 1.0 Hf Hf1 1 0.99955348 0.76063921 0.75000000 1.0 Hf Hf2 1 0.76108573 0.76063921 0.25000000 1.0 Hf Hf3 1 0.23891427 0.23936079 0.75000000 1.0 Sc Sc4 1 0.23752007 0.00000000 0.25000000 1.0 Sc Sc5 1 0.76247993 1.00000000 0.75000000 1.0 Ti Ti6 1 0.33147731 0.66295662 0.00000000 1.0 Ti Ti7 1 0.66852269 0.33704338 0.00000000 1.0 Ti Ti8 1 0.66852269 0.33704338 0.50000000 1.0 Ti Ti9 1 0.33147731 0.66295662 0.50000000 1.0 Pb Pb10 1 0.60136388 1.00000000 0.25000000 1.0 Pb Pb11 1 0.39863612 0.00000000 0.75000000 1.0 Pb Pb12 1 0.00213420 0.60435967 0.25000000 1.0 Pb Pb13 1 0.99786580 0.39564033 0.75000000 1.0 Pb Pb14 1 0.39777554 0.39564033 0.25000000 1.0 Pb Pb15 1 0.60222446 0.60435967 0.75000000 1.0