[CIF]
data_TiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34621802
_cell_length_b   3.34621802
_cell_length_c   12.29944395
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiS2
_chemical_formula_sum   'Ti2 S4'
_cell_volume   119.26817602
_cell_formula_units_Z   2
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
  S  S0  1  -0.00000000  1.93193988  10.73030094  1
  S  S1  1  1.67310901  0.96596994  4.58057896  1
  S  S2  1  1.67310901  0.96596994  1.56914301  1
  S  S3  1  -0.00000000  1.93193988  7.71886499  1
  Ti  Ti4  1  0.00000000  0.00000000  9.22458296  1
  Ti  Ti5  1  0.00000000  0.00000000  3.07486099  1
[/CIF]
