# generated using pymatgen data_Ti10Pb6S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21716878 _cell_length_b 8.21716803 _cell_length_c 5.56453169 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999906 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti10Pb6S _chemical_formula_sum 'Ti10 Pb6 S1' _cell_volume 325.38957216 _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 Ti Ti0 1 0.66666700 0.33333300 0.50000000 1.0 Ti Ti1 1 0.33333300 0.66666700 0.50000000 1.0 Ti Ti2 1 0.33333300 0.66666700 0.00000000 1.0 Ti Ti3 1 0.66666700 0.33333300 0.00000000 1.0 Ti Ti4 1 0.75495009 0.75495009 0.24373376 1.0 Ti Ti5 1 0.24504991 1.00000000 0.24373376 1.0 Ti Ti6 1 0.00000000 0.24504991 0.24373376 1.0 Ti Ti7 1 0.24504991 0.24504991 0.75626624 1.0 Ti Ti8 1 0.75495009 0.00000000 0.75626624 1.0 Ti Ti9 1 1.00000000 0.75495009 0.75626624 1.0 Pb Pb10 1 0.39334166 0.39334166 0.24859517 1.0 Pb Pb11 1 0.60665834 0.00000000 0.24859517 1.0 Pb Pb12 1 1.00000000 0.60665834 0.24859517 1.0 Pb Pb13 1 0.60665834 0.60665834 0.75140483 1.0 Pb Pb14 1 0.39334166 1.00000000 0.75140483 1.0 Pb Pb15 1 0.00000000 0.39334166 0.75140483 1.0 S S16 1 0.00000000 0.00000000 0.50000000 1.0