# generated using pymatgen
data_TiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10479000
_cell_length_b   6.54411352
_cell_length_c   8.90829554
_cell_angle_alpha   111.05479480
_cell_angle_beta   84.37851355
_cell_angle_gamma   114.26620263
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiS2
_chemical_formula_sum   'Ti4 S8'
_cell_volume   302.26813987
_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
  Ti  Ti0  1  0.49977700  0.54187800  0.62706300  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti2  1  0.50022300  0.45812200  0.37293700  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.50000000  1.0
  S  S4  1  0.86762200  0.51426700  0.78333300  1.0
  S  S5  1  0.62468800  0.13129200  0.38716100  1.0
  S  S6  1  0.25051300  0.13666600  0.85079200  1.0
  S  S7  1  0.21213000  0.40892600  0.49690300  1.0
  S  S8  1  0.78787000  0.59107400  0.50309700  1.0
  S  S9  1  0.74948700  0.86333400  0.14920800  1.0
  S  S10  1  0.37531200  0.86870800  0.61283900  1.0
  S  S11  1  0.13237800  0.48573300  0.21666700  1.0