# generated using pymatgen
data_TiSCl6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63209600
_cell_length_b   8.18878060
_cell_length_c   11.22515027
_cell_angle_alpha   108.50382951
_cell_angle_beta   91.38155874
_cell_angle_gamma   113.71642866
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSCl6O
_chemical_formula_sum   'Ti2 S2 Cl12 O2'
_cell_volume   521.13697881
_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
  Ti  Ti0  1  0.07283300  0.90957800  0.85758700  1.0
  Ti  Ti1  1  0.92716700  0.09042200  0.14241300  1.0
  S  S2  1  0.05459600  0.72362500  0.29993300  1.0
  S  S3  1  0.94540400  0.27637500  0.70006700  1.0
  Cl  Cl4  1  0.80463000  0.69368300  0.80763100  1.0
  Cl  Cl5  1  0.73389200  0.49930800  0.32686600  1.0
  Cl  Cl6  1  0.96980400  0.74561900  0.48341500  1.0
  Cl  Cl7  1  0.74518700  0.83085700  0.06008300  1.0
  Cl  Cl8  1  0.03019600  0.25438100  0.51658500  1.0
  Cl  Cl9  1  0.63267100  0.93229700  0.33315300  1.0
  Cl  Cl10  1  0.19537000  0.30631700  0.19236900  1.0
  Cl  Cl11  1  0.36732900  0.06770300  0.66684700  1.0
  Cl  Cl12  1  0.25481300  0.16914300  0.93991700  1.0
  Cl  Cl13  1  0.78113800  0.25824800  0.06109600  1.0
  Cl  Cl14  1  0.26610800  0.50069200  0.67313400  1.0
  Cl  Cl15  1  0.21886200  0.74175200  0.93890400  1.0
  O  O16  1  0.91683200  0.10802200  0.78677100  1.0
  O  O17  1  0.08316800  0.89197800  0.21322900  1.0