# generated using pymatgen
data_TiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09809151
_cell_length_b   6.09809151
_cell_length_c   19.33794229
_cell_angle_alpha   89.87389936
_cell_angle_beta   89.87389936
_cell_angle_gamma   119.63423404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCl3
_chemical_formula_sum   'Ti6 Cl18'
_cell_volume   625.04820786
_cell_formula_units_Z   6
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  0.65804100  0.97714500  0.66548000  1.0
  Ti  Ti1  1  0.34195900  0.02285500  0.33452000  1.0
  Ti  Ti2  1  0.65944600  0.34055400  0.00000000  1.0
  Ti  Ti3  1  0.02285500  0.34195900  0.33452000  1.0
  Ti  Ti4  1  0.34055400  0.65944600  0.00000000  1.0
  Ti  Ti5  1  0.97714500  0.65804100  0.66548000  1.0
  Cl  Cl6  1  0.35461500  0.00038700  0.07168200  1.0
  Cl  Cl7  1  0.32837500  0.68241400  0.26296600  1.0
  Cl  Cl8  1  0.03564100  0.03564100  0.25926200  1.0
  Cl  Cl9  1  0.33032000  0.33032000  0.40953500  1.0
  Cl  Cl10  1  0.66968000  0.66968000  0.59046500  1.0
  Cl  Cl11  1  0.64953700  0.64953700  0.07476000  1.0
  Cl  Cl12  1  0.03612800  0.68249300  0.40600400  1.0
  Cl  Cl13  1  0.68241400  0.32837500  0.26296600  1.0
  Cl  Cl14  1  0.96387200  0.31750700  0.59399600  1.0
  Cl  Cl15  1  0.68249300  0.03612800  0.40600400  1.0
  Cl  Cl16  1  0.64538500  0.99961300  0.92831800  1.0
  Cl  Cl17  1  0.00038700  0.35461500  0.07168200  1.0
  Cl  Cl18  1  0.96435900  0.96435900  0.74073800  1.0
  Cl  Cl19  1  0.67162500  0.31758600  0.73703400  1.0
  Cl  Cl20  1  0.31750700  0.96387200  0.59399600  1.0
  Cl  Cl21  1  0.99961300  0.64538500  0.92831800  1.0
  Cl  Cl22  1  0.35046300  0.35046300  0.92524000  1.0
  Cl  Cl23  1  0.31758600  0.67162500  0.73703400  1.0