# generated using pymatgen
data_TiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42572916
_cell_length_b   3.42575423
_cell_length_c   18.05176449
_cell_angle_alpha   90.00262762
_cell_angle_beta   89.99556123
_cell_angle_gamma   120.00082217
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiS2
_chemical_formula_sum   'Ti3 S6'
_cell_volume   183.46613745
_cell_formula_units_Z   3
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
  Ti  Ti0  1  -0.00010415  -0.00001235  0.49978761  1.0
  Ti  Ti1  1  0.00003893  0.00001998  0.83708163  1.0
  Ti  Ti2  1  0.00001020  -0.00005432  0.16314089  1.0
  S  S3  1  0.33333399  0.66668387  0.57745504  1.0
  S  S4  1  0.33329192  0.66668758  0.91468248  1.0
  S  S5  1  0.33330070  0.66665326  0.24087946  1.0
  S  S6  1  0.66661690  0.33327456  0.75928381  1.0
  S  S7  1  0.66666922  0.33334148  0.08559468  1.0
  S  S8  1  0.66684228  0.33340593  0.42209439  1.0