# generated using pymatgen data_Hf3Zr2Pb3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58422573 _cell_length_b 8.60265964 _cell_length_c 5.99973403 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.07105895 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zr2Pb3S _chemical_formula_sum 'Hf6 Zr4 Pb6 S2' _cell_volume 383.42911147 _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 0.33218168 0.66609084 0.00000000 1.0 Hf Hf1 1 0.66569595 0.33284798 0.50000000 1.0 Hf Hf2 1 0.66569595 0.33284798 0.00000000 1.0 Hf Hf3 1 0.33218168 0.66609084 0.50000000 1.0 Hf Hf4 1 0.25084640 0.00112044 0.25000000 1.0 Hf Hf5 1 0.25084640 0.24972697 0.75000000 1.0 Zr Zr6 1 0.99961839 0.74736818 0.75000000 1.0 Zr Zr7 1 0.99961839 0.25225121 0.25000000 1.0 Zr Zr8 1 0.74915756 0.75046488 0.25000000 1.0 Zr Zr9 1 0.74915756 0.99869368 0.75000000 1.0 Pb Pb10 1 0.59960555 0.99976779 0.25000000 1.0 Pb Pb11 1 0.59960555 0.59983776 0.75000000 1.0 Pb Pb12 1 0.99971947 0.39667405 0.75000000 1.0 Pb Pb13 1 0.99971947 0.60304441 0.25000000 1.0 Pb Pb14 1 0.39815197 0.39835640 0.25000000 1.0 Pb Pb15 1 0.39815197 0.99979558 0.75000000 1.0 S S16 1 0.00502302 0.00251201 0.00000000 1.0 S S17 1 0.00502302 0.00251201 0.50000000 1.0