# generated using pymatgen
data_Ti2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31829333
_cell_length_b   11.35121262
_cell_length_c   14.00214364
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2S
_chemical_formula_sum   'Ti24 S12'
_cell_volume   527.41388749
_cell_formula_units_Z   12
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  0.50000000  0.41065187  0.75689138  1.0
  Ti  Ti1  1  0.50000000  0.38173000  0.07759981  1.0
  Ti  Ti2  1  -0.00000000  0.81123880  0.20831072  1.0
  Ti  Ti3  1  -0.00000000  0.47043329  0.38968790  1.0
  Ti  Ti4  1  0.00000000  0.08934813  0.25689138  1.0
  Ti  Ti5  1  0.50000000  0.61827000  0.92240019  1.0
  Ti  Ti6  1  -0.00000000  0.58969773  0.07905441  1.0
  Ti  Ti7  1  0.00000000  0.91065187  0.74310862  1.0
  Ti  Ti8  1  0.50000000  0.91030227  0.57905441  1.0
  Ti  Ti9  1  -0.00000000  0.84712825  0.97982699  1.0
  Ti  Ti10  1  0.50000000  0.31123880  0.29168928  1.0
  Ti  Ti11  1  0.50000000  0.08969773  0.42094559  1.0
  Ti  Ti12  1  0.50000000  0.02956671  0.88968790  1.0
  Ti  Ti13  1  0.50000000  0.97043329  0.11031210  1.0
  Ti  Ti14  1  0.00000000  0.18876120  0.79168928  1.0
  Ti  Ti15  1  0.50000000  0.65287175  0.47982699  1.0
  Ti  Ti16  1  0.50000000  0.68876120  0.70831072  1.0
  Ti  Ti17  1  0.50000000  0.34712825  0.52017301  1.0
  Ti  Ti18  1  -0.00000000  0.41030227  0.92094559  1.0
  Ti  Ti19  1  -0.00000000  0.52956671  0.61031210  1.0
  Ti  Ti20  1  0.50000000  0.58934813  0.24310862  1.0
  Ti  Ti21  1  -0.00000000  0.88173000  0.42240019  1.0
  Ti  Ti22  1  0.00000000  0.15287175  0.02017301  1.0
  Ti  Ti23  1  0.00000000  0.11827000  0.57759981  1.0
  S  S24  1  -0.00000000  0.56567423  0.79393508  1.0
  S  S25  1  0.50000000  0.06567423  0.70606492  1.0
  S  S26  1  -0.00000000  0.43432577  0.20606492  1.0
  S  S27  1  -0.00000000  0.75374632  0.58882291  1.0
  S  S28  1  0.50000000  0.81370875  0.85053182  1.0
  S  S29  1  0.50000000  0.93432577  0.29393508  1.0
  S  S30  1  0.50000000  0.18629125  0.14946818  1.0
  S  S31  1  0.50000000  0.74625368  0.08882291  1.0
  S  S32  1  -0.00000000  0.31370875  0.64946818  1.0
  S  S33  1  0.50000000  0.25374632  0.91117709  1.0
  S  S34  1  -0.00000000  0.68629125  0.35053182  1.0
  S  S35  1  0.00000000  0.24625368  0.41117709  1.0