# generated using pymatgen
data_LiTi(SO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17025700
_cell_length_b   9.33986000
_cell_length_c   13.80683630
_cell_angle_alpha   89.58722290
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi(SO4)2
_chemical_formula_sum   'Li8 Ti8 S16 O64'
_cell_volume   1182.50988199
_cell_formula_units_Z   8
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  0.28786900  0.77348000  0.37244000  1
  Li  Li1  1  0.71213100  0.77348000  0.87244000  1
  Li  Li2  1  0.20418700  0.71979800  0.87655100  1
  Li  Li3  1  0.79581300  0.71979800  0.37655100  1
  Li  Li4  1  0.80245200  0.23214500  0.12380600  1
  Li  Li5  1  0.19754800  0.23214500  0.62380600  1
  Li  Li6  1  0.47738200  0.04860300  0.62604200  1
  Li  Li7  1  0.52261800  0.04860300  0.12604200  1
  Ti  Ti8  1  0.14392000  0.85889400  0.12495100  1
  Ti  Ti9  1  0.85608000  0.85889400  0.62495100  1
  Ti  Ti10  1  0.64339400  0.63667700  0.12722200  1
  Ti  Ti11  1  0.35660600  0.63667700  0.62722200  1
  Ti  Ti12  1  0.14501700  0.35858900  0.37279000  1
  Ti  Ti13  1  0.85498300  0.35858900  0.87279000  1
  Ti  Ti14  1  0.64753600  0.14434600  0.37603800  1
  Ti  Ti15  1  0.35246400  0.14434600  0.87603800  1
  S  S16  1  0.18482800  0.92726300  0.72354200  1
  S  S17  1  0.81517200  0.92726300  0.22354200  1
  S  S18  1  0.56047900  0.84314900  0.48967700  1
  S  S19  1  0.43952100  0.84314900  0.98967700  1
  S  S20  1  0.06204800  0.65387000  0.49100700  1
  S  S21  1  0.93795200  0.65387000  0.99100700  1
  S  S22  1  0.31544700  0.57321600  0.21950800  1
  S  S23  1  0.68455300  0.57321600  0.71950800  1
  S  S24  1  0.81967900  0.42689900  0.27732600  1
  S  S25  1  0.18032100  0.42689900  0.77732600  1
  S  S26  1  0.56444500  0.33995800  0.01095800  1
  S  S27  1  0.43555500  0.33995800  0.51095800  1
  S  S28  1  0.06254800  0.15605900  0.00914400  1
  S  S29  1  0.93745200  0.15605900  0.50914400  1
  S  S30  1  0.68116600  0.07503300  0.77792300  1
  S  S31  1  0.31883400  0.07503300  0.27792300  1
  O  O32  1  0.55344700  0.00340100  0.47804500  1
  O  O33  1  0.44655300  0.00340100  0.97804500  1
  O  O34  1  0.26621100  0.97830100  0.35244500  1
  O  O35  1  0.73378900  0.97830100  0.85244500  1
  O  O36  1  0.77709100  0.97439700  0.32412800  1
  O  O37  1  0.22290900  0.97439700  0.82412800  1
  O  O38  1  0.02318000  0.92320300  0.71582200  1
  O  O39  1  0.97682000  0.92320300  0.21582200  1
  O  O40  1  0.52507800  0.81561600  0.08095900  1
  O  O41  1  0.47492200  0.81561600  0.58095900  1
  O  O42  1  0.28378700  0.79936300  0.00828500  1
  O  O43  1  0.71621300  0.79936300  0.50828500  1
  O  O44  1  0.24183500  0.77575900  0.71812500  1
  O  O45  1  0.75816500  0.77575900  0.21812500  1
  O  O46  1  0.50577300  0.76748300  0.40579000  1
  O  O47  1  0.49422700  0.76748300  0.90579000  1
  O  O48  1  0.01208500  0.73395200  0.40592500  1
  O  O49  1  0.98791500  0.73395200  0.90592500  1
  O  O50  1  0.25762900  0.72810800  0.21664800  1
  O  O51  1  0.74237100  0.72810800  0.71664800  1
  O  O52  1  0.21956200  0.69564400  0.51139500  1
  O  O53  1  0.78043800  0.69564400  0.01139500  1
  O  O54  1  0.02259800  0.68809000  0.08012800  1
  O  O55  1  0.97740200  0.68809000  0.58012800  1
  O  O56  1  0.48027300  0.58858300  0.21622400  1
  O  O57  1  0.51972700  0.58858300  0.71622400  1
  O  O58  1  0.71987500  0.52664700  0.82200900  1
  O  O59  1  0.28012500  0.52664700  0.32200900  1
  O  O60  1  0.75907500  0.51925200  0.35057300  1
  O  O61  1  0.24092500  0.51925200  0.85057300  1
  O  O62  1  0.05611400  0.49665800  0.47513400  1
  O  O63  1  0.94388600  0.49665800  0.97513400  1
  O  O64  1  0.55202000  0.49592900  0.02968400  1
  O  O65  1  0.44798000  0.49592900  0.52968400  1
  O  O66  1  0.74191700  0.48418700  0.64523600  1
  O  O67  1  0.25808300  0.48418700  0.14523600  1
  O  O68  1  0.78238800  0.47383600  0.17554400  1
  O  O69  1  0.21761200  0.47383600  0.67554400  1
  O  O70  1  0.98242000  0.41720100  0.28262400  1
  O  O71  1  0.01758000  0.41720100  0.78262400  1
  O  O72  1  0.52301900  0.30903200  0.42260000  1
  O  O73  1  0.47698100  0.30903200  0.92260000  1
  O  O74  1  0.72239200  0.30542900  0.98683700  1
  O  O75  1  0.27760800  0.30542900  0.48683700  1
  O  O76  1  0.76151900  0.27520400  0.28221500  1
  O  O77  1  0.23848100  0.27520400  0.78221500  1
  O  O78  1  0.52750500  0.25265800  0.09519700  1
  O  O79  1  0.47249500  0.25265800  0.59519700  1
  O  O80  1  0.01085500  0.23277200  0.09324800  1
  O  O81  1  0.98914500  0.23277200  0.59324800  1
  O  O82  1  0.74153100  0.22209000  0.78710000  1
  O  O83  1  0.25846900  0.22209000  0.28710000  1
  O  O84  1  0.78305700  0.19529300  0.48430300  1
  O  O85  1  0.21694300  0.19529300  0.98430300  1
  O  O86  1  0.02645000  0.18522500  0.42017900  1
  O  O87  1  0.97355000  0.18522500  0.92017900  1
  O  O88  1  0.51494100  0.08757000  0.77955400  1
  O  O89  1  0.48505900  0.08757000  0.27955400  1
  O  O90  1  0.71223700  0.02240600  0.67702500  1
  O  O91  1  0.28776300  0.02240600  0.17702500  1
  O  O92  1  0.25130400  0.02120300  0.64991700  1
  O  O93  1  0.74869600  0.02120300  0.14991700  1
  O  O94  1  0.05974600  0.99663600  0.02709300  1
  O  O95  1  0.94025400  0.99663600  0.52709300  1
