# generated using pymatgen
data_Li(TiS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43884906
_cell_length_b   3.43884864
_cell_length_c   21.33601364
_cell_angle_alpha   89.99949206
_cell_angle_beta   90.00051733
_cell_angle_gamma   120.00068049
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li(TiS2)3
_chemical_formula_sum   'Li1 Ti3 S6'
_cell_volume   218.50788277
_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  -0.00000291  0.00000175  0.49979197  1
  Ti  Ti1  1  0.00000036  -0.00000054  0.64653359  1
  Ti  Ti2  1  -0.00000003  -0.00000027  0.35324690  1
  Ti  Ti3  1  0.00000133  0.00000091  0.00028794  1
  S  S4  1  0.66666658  0.33333327  0.28944442  1
  S  S5  1  0.33333383  0.66666567  0.71033962  1
  S  S6  1  0.33333663  0.66666395  0.06580938  1
  S  S7  1  0.66666456  0.33333571  0.93475897  1
  S  S8  1  0.33333671  0.66666343  0.42368268  1
  S  S9  1  0.66666296  0.33333612  0.57610454  1
