# generated using pymatgen data_HoHf9(Pb3S)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58736763 _cell_length_b 8.62745366 _cell_length_c 6.00303256 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.15453556 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoHf9(Pb3S)2 _chemical_formula_sum 'Ho1 Hf9 Pb6 S2' _cell_volume 384.56134558 _cell_formula_units_Z 1 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 0.25231694 0.25000000 1.0 Hf Hf1 1 0.66502445 0.33464846 0.99912042 1.0 Hf Hf2 1 0.74563568 0.99922727 0.75000000 1.0 Hf Hf3 1 0.25436432 0.25359159 0.75000000 1.0 Hf Hf4 1 0.33497555 0.66962501 0.50087958 1.0 Hf Hf5 1 0.33497555 0.66962501 0.99912042 1.0 Hf Hf6 1 0.00000000 0.74327754 0.75000000 1.0 Hf Hf7 1 0.66502445 0.33464846 0.50087958 1.0 Hf Hf8 1 0.74692376 0.74944925 0.25000000 1.0 Hf Hf9 1 0.25307624 0.00252549 0.25000000 1.0 Pb Pb10 1 0.60316642 0.60394174 0.75000000 1.0 Pb Pb11 1 0.39683358 0.00077632 0.75000000 1.0 Pb Pb12 1 0.00000000 0.60713304 0.25000000 1.0 Pb Pb13 1 0.40060889 0.40099397 0.25000000 1.0 Pb Pb14 1 1.00000000 0.39501974 0.75000000 1.0 Pb Pb15 1 0.59939111 0.00038508 0.25000000 1.0 S S16 1 0.00000000 0.99140704 0.99519825 1.0 S S17 1 0.00000000 0.99140704 0.50480175 1.0