# generated using pymatgen data_Ti24HS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98193081 _cell_length_b 9.80456390 _cell_length_c 9.80979987 _cell_angle_alpha 89.99413715 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti24HS8 _chemical_formula_sum 'Ti24 H1 S8' _cell_volume 479.16613645 _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 0.79594726 0.39477464 0.91431930 1.0 Ti Ti1 1 0.79594726 0.60522536 0.08568070 1.0 Ti Ti2 1 0.29576072 0.58558897 0.89503335 1.0 Ti Ti3 1 0.29576072 0.41441103 0.10496665 1.0 Ti Ti4 1 0.21401454 0.10881761 0.58759120 1.0 Ti Ti5 1 0.21401454 0.89118239 0.41240880 1.0 Ti Ti6 1 0.70356189 0.91129444 0.60851987 1.0 Ti Ti7 1 0.70356189 0.08870556 0.39148013 1.0 Ti Ti8 1 0.97273084 0.02812697 0.86008690 1.0 Ti Ti9 1 0.97273084 0.97187303 0.13991310 1.0 Ti Ti10 1 0.47156289 0.64091173 0.52687712 1.0 Ti Ti11 1 0.47156289 0.35908827 0.47312288 1.0 Ti Ti12 1 0.03255672 0.47303927 0.64030968 1.0 Ti Ti13 1 0.03255672 0.52696073 0.35969032 1.0 Ti Ti14 1 0.53315050 0.85990253 0.97217326 1.0 Ti Ti15 1 0.53315050 0.14009747 0.02782674 1.0 Ti Ti16 1 0.27080162 0.28488181 0.81942463 1.0 Ti Ti17 1 0.27080162 0.71511819 0.18057537 1.0 Ti Ti18 1 0.76848181 0.68062841 0.78541538 1.0 Ti Ti19 1 0.76848181 0.31937159 0.21458462 1.0 Ti Ti20 1 0.73624623 0.21611776 0.68243569 1.0 Ti Ti21 1 0.73624623 0.78388224 0.31756431 1.0 Ti Ti22 1 0.23279381 0.81756167 0.71668015 1.0 Ti Ti23 1 0.23279381 0.18243833 0.28331985 1.0 H H24 1 0.95947280 0.00000000 0.50000000 1.0 S S25 1 0.46631856 0.03926613 0.79363178 1.0 S S26 1 0.46631856 0.96073387 0.20636822 1.0 S S27 1 0.96469691 0.70624084 0.53884273 1.0 S S28 1 0.96469691 0.29375916 0.46115727 1.0 S S29 1 0.53970737 0.46100428 0.70678001 1.0 S S30 1 0.53970737 0.53899572 0.29321999 1.0 S S31 1 0.03972891 0.79299006 0.96133546 1.0 S S32 1 0.03972891 0.20700994 0.03866454 1.0