# generated using pymatgen data_Ho3Hf2Pb3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89225013 _cell_length_b 8.89224919 _cell_length_c 6.25121772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999264 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho3Hf2Pb3S _chemical_formula_sum 'Ho6 Hf4 Pb6 S2' _cell_volume 428.07373671 _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 Ho Ho0 1 1.00000000 0.24925975 0.25000000 1.0 Ho Ho1 1 0.75074025 0.00000000 0.75000000 1.0 Ho Ho2 1 0.24925975 0.24925975 0.75000000 1.0 Ho Ho3 1 0.00000000 0.75074025 0.75000000 1.0 Ho Ho4 1 0.75074025 0.75074025 0.25000000 1.0 Ho Ho5 1 0.24925975 1.00000000 0.25000000 1.0 Hf Hf6 1 0.66666700 0.33333300 0.00000000 1.0 Hf Hf7 1 0.33333300 0.66666700 0.50000000 1.0 Hf Hf8 1 0.33333300 0.66666700 0.00000000 1.0 Hf Hf9 1 0.66666700 0.33333300 0.50000000 1.0 Pb Pb10 1 0.60086877 0.60086877 0.75000000 1.0 Pb Pb11 1 0.39913123 1.00000000 0.75000000 1.0 Pb Pb12 1 0.00000000 0.60086877 0.25000000 1.0 Pb Pb13 1 0.39913123 0.39913123 0.25000000 1.0 Pb Pb14 1 1.00000000 0.39913123 0.75000000 1.0 Pb Pb15 1 0.60086877 0.00000000 0.25000000 1.0 S S16 1 0.00000000 0.00000000 0.00000000 1.0 S S17 1 0.00000000 0.00000000 0.50000000 1.0