# generated using pymatgen data_Li8Ti16CuS32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03955200 _cell_length_b 7.04430505 _cell_length_c 23.44277564 _cell_angle_alpha 90.19516402 _cell_angle_beta 98.43071869 _cell_angle_gamma 119.95667025 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li8Ti16CuS32 _chemical_formula_sum 'Li8 Ti16 Cu1 S32' _cell_volume 992.31906538 _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 Li Li0 1 0.24385700 0.11921600 0.86317200 1.0 Li Li1 1 0.49933700 0.49995000 0.50041700 1.0 Li Li2 1 0.99858200 0.25116000 0.74973500 1.0 Li Li3 1 0.25204900 0.62806800 0.37611300 1.0 Li Li4 1 0.75004900 0.37506600 0.62481100 1.0 Li Li5 1 0.99880100 0.75138200 0.25020300 1.0 Li Li6 1 0.74630600 0.87317100 0.12345800 1.0 Li Li7 1 0.99954700 0.24794700 0.25026100 1.0 Ti Ti8 1 0.25650700 0.63035100 0.87445700 1.0 Ti Ti9 1 0.24965500 0.87484000 0.62489900 1.0 Ti Ti10 1 0.74830900 0.62662400 0.87468400 1.0 Ti Ti11 1 0.00205100 0.49984600 0.00396400 1.0 Ti Ti12 1 0.49931200 0.74817900 0.74742800 1.0 Ti Ti13 1 0.74436200 0.11803200 0.87458500 1.0 Ti Ti14 1 0.75025800 0.87513100 0.62494200 1.0 Ti Ti15 1 0.24963400 0.37467100 0.62485900 1.0 Ti Ti16 1 0.00123300 0.00213200 0.50109100 1.0 Ti Ti17 1 0.75174800 0.62743500 0.37633100 1.0 Ti Ti18 1 0.25211200 0.12357300 0.37614000 1.0 Ti Ti19 1 0.24847000 0.86684000 0.12469000 1.0 Ti Ti20 1 0.74774700 0.12391900 0.37616300 1.0 Ti Ti21 1 0.24829600 0.38134900 0.12473700 1.0 Ti Ti22 1 0.49882800 0.25037000 0.24888200 1.0 Ti Ti23 1 0.75505600 0.37743100 0.12506600 1.0 Cu Cu24 1 0.31421200 0.15826800 0.97329500 1.0 S S25 1 0.11802900 0.80064300 0.93691600 1.0 S S26 1 0.11813500 0.31818600 0.93652100 1.0 S S27 1 0.62276100 0.81090800 0.93398000 1.0 S S28 1 0.38194800 0.93050700 0.81213800 1.0 S S29 1 0.86371000 0.93065900 0.81208400 1.0 S S30 1 0.38163700 0.44845300 0.81212500 1.0 S S31 1 0.63598500 0.31875800 0.93698700 1.0 S S32 1 0.13226500 0.56793700 0.68666500 1.0 S S33 1 0.61935800 0.56693400 0.68629200 1.0 S S34 1 0.11826400 0.81729000 0.43706400 1.0 S S35 1 0.37691100 0.68907600 0.56573600 1.0 S S36 1 0.87842000 0.43857600 0.81674800 1.0 S S37 1 0.12300800 0.06110800 0.68427900 1.0 S S38 1 0.36694100 0.18171800 0.56307000 1.0 S S39 1 0.88151900 0.69671500 0.56305800 1.0 S S40 1 0.38170100 0.94717800 0.31313400 1.0 S S41 1 0.61861600 0.05420500 0.68662000 1.0 S S42 1 0.11854500 0.30306300 0.43703900 1.0 S S43 1 0.63338000 0.81804300 0.43745500 1.0 S S44 1 0.87637800 0.93851300 0.31574700 1.0 S S45 1 0.62389600 0.31232500 0.43489900 1.0 S S46 1 0.88089600 0.18252200 0.56339300 1.0 S S47 1 0.38101300 0.43301600 0.31361900 1.0 S S48 1 0.12549500 0.56312700 0.18625200 1.0 S S49 1 0.36704600 0.68307900 0.06288300 1.0 S S50 1 0.86738700 0.43303800 0.31336100 1.0 S S51 1 0.61966700 0.55419400 0.18696800 1.0 S S52 1 0.13179600 0.06615700 0.18664900 1.0 S S53 1 0.61996300 0.06609100 0.18681300 1.0 S S54 1 0.37874100 0.18870300 0.06867400 1.0 S S55 1 0.88137900 0.68337600 0.06370000 1.0 S S56 1 0.88139100 0.19720000 0.06349000 1.0