# generated using pymatgen
data_Li6Ti2S6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03587900
_cell_length_b   11.53966000
_cell_length_c   11.78381662
_cell_angle_alpha   68.62732107
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li6Ti2S6O
_chemical_formula_sum   'Li24 Ti8 S24 O4'
_cell_volume   1144.21124907
_cell_formula_units_Z   4
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  0.86104500  0.99896000  0.89606200  1
  Li  Li1  1  0.63895500  0.99896000  0.39606200  1
  Li  Li2  1  0.97899400  0.91103600  0.64604200  1
  Li  Li3  1  0.26378600  0.80417400  0.93553100  1
  Li  Li4  1  0.52100600  0.91103600  0.14604200  1
  Li  Li5  1  0.23621400  0.80417400  0.43553100  1
  Li  Li6  1  0.70149000  0.72416100  0.57567600  1
  Li  Li7  1  0.05866000  0.60332600  0.85679700  1
  Li  Li8  1  0.67223500  0.54609000  0.89703400  1
  Li  Li9  1  0.79851000  0.72416100  0.07567600  1
  Li  Li10  1  0.44134000  0.60332600  0.35679700  1
  Li  Li11  1  0.82776500  0.54609000  0.39703400  1
  Li  Li12  1  0.17223500  0.45391000  0.60296600  1
  Li  Li13  1  0.55866000  0.39667400  0.64320300  1
  Li  Li14  1  0.20149000  0.27583900  0.92432400  1
  Li  Li15  1  0.32776500  0.45391000  0.10296600  1
  Li  Li16  1  0.94134000  0.39667400  0.14320300  1
  Li  Li17  1  0.29851000  0.27583900  0.42432400  1
  Li  Li18  1  0.76378600  0.19582600  0.56446900  1
  Li  Li19  1  0.47899400  0.08896400  0.85395800  1
  Li  Li20  1  0.73621400  0.19582600  0.06446900  1
  Li  Li21  1  0.02100600  0.08896400  0.35395800  1
  Li  Li22  1  0.36104500  0.00104000  0.60393800  1
  Li  Li23  1  0.13895500  0.00104000  0.10393800  1
  Ti  Ti24  1  0.63948100  0.82838300  0.79016300  1
  Ti  Ti25  1  0.86051900  0.82838300  0.29016300  1
  Ti  Ti26  1  0.39095600  0.64099100  0.73260000  1
  Ti  Ti27  1  0.10904400  0.64099100  0.23260000  1
  Ti  Ti28  1  0.89095600  0.35900900  0.76740000  1
  Ti  Ti29  1  0.60904400  0.35900900  0.26740000  1
  Ti  Ti30  1  0.13948100  0.17161700  0.70983700  1
  Ti  Ti31  1  0.36051900  0.17161700  0.20983700  1
  S  S32  1  0.64243300  0.98701600  0.60932700  1
  S  S33  1  0.53108600  0.86392800  0.94910800  1
  S  S34  1  0.85756700  0.98701600  0.10932700  1
  S  S35  1  0.96891400  0.86392800  0.44910800  1
  S  S36  1  0.87464400  0.78757200  0.85153200  1
  S  S37  1  0.23106800  0.79517600  0.72191400  1
  S  S38  1  0.62535600  0.78757200  0.35153200  1
  S  S39  1  0.26893200  0.79517600  0.22191400  1
  S  S40  1  0.38026700  0.59718800  0.56170200  1
  S  S41  1  0.34104100  0.46657500  0.88859800  1
  S  S42  1  0.84104100  0.53342500  0.61140200  1
  S  S43  1  0.11973300  0.59718800  0.06170200  1
  S  S44  1  0.88026700  0.40281200  0.93829800  1
  S  S45  1  0.15895900  0.46657500  0.38859800  1
  S  S46  1  0.65895900  0.53342500  0.11140200  1
  S  S47  1  0.61973300  0.40281200  0.43829800  1
  S  S48  1  0.73106800  0.20482400  0.77808600  1
  S  S49  1  0.37464400  0.21242800  0.64846800  1
  S  S50  1  0.76893200  0.20482400  0.27808600  1
  S  S51  1  0.12535600  0.21242800  0.14846800  1
  S  S52  1  0.03108600  0.13607200  0.55089200  1
  S  S53  1  0.14243300  0.01298400  0.89067300  1
  S  S54  1  0.46891400  0.13607200  0.05089200  1
  S  S55  1  0.35756700  0.01298400  0.39067300  1
  O  O56  1  0.58567200  0.68605800  0.75450200  1
  O  O57  1  0.91432800  0.68605800  0.25450200  1
  O  O58  1  0.08567200  0.31394200  0.74549800  1
  O  O59  1  0.41432800  0.31394200  0.24549800  1
