# generated using pymatgen
data_Li(TiS2)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84358633
_cell_length_b   6.84358642
_cell_length_c   12.15711922
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998989
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(TiS2)8
_chemical_formula_sum   'Li1 Ti8 S16'
_cell_volume   493.09302303
_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  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.50100995  0.49899005  0.74748097  1.0
  Ti  Ti2  1  0.49899005  0.50100995  0.25251903  1.0
  Ti  Ti3  1  0.50100995  0.00201891  0.74748097  1.0
  Ti  Ti4  1  0.49899005  0.99798109  0.25251903  1.0
  Ti  Ti5  1  0.99798109  0.49899005  0.74748097  1.0
  Ti  Ti6  1  0.00201891  0.50100995  0.25251903  1.0
  Ti  Ti7  1  0.00000000  0.00000000  0.74123270  1.0
  Ti  Ti8  1  0.00000000  0.00000000  0.25876730  1.0
  S  S9  1  0.83415144  0.66830488  0.13634907  1.0
  S  S10  1  0.83237813  0.66475625  0.63061838  1.0
  S  S11  1  0.83415144  0.16584856  0.13634907  1.0
  S  S12  1  0.83237813  0.16762187  0.63061838  1.0
  S  S13  1  0.33333300  0.66666700  0.13561626  1.0
  S  S14  1  0.33333300  0.66666700  0.63382104  1.0
  S  S15  1  0.33169512  0.16584856  0.13634907  1.0
  S  S16  1  0.33524375  0.16762187  0.63061838  1.0
  S  S17  1  0.66830488  0.83415144  0.86365093  1.0
  S  S18  1  0.66475625  0.83237813  0.36938162  1.0
  S  S19  1  0.66666700  0.33333300  0.86438374  1.0
  S  S20  1  0.66666700  0.33333300  0.36617896  1.0
  S  S21  1  0.16584856  0.83415144  0.86365093  1.0
  S  S22  1  0.16762187  0.83237813  0.36938162  1.0
  S  S23  1  0.16584856  0.33169512  0.86365093  1.0
  S  S24  1  0.16762187  0.33524375  0.36938162  1.0