# generated using pymatgen
data_TiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38099538
_cell_length_b   6.38099373
_cell_length_c   5.67047114
_cell_angle_alpha   90.00261407
_cell_angle_beta   90.00264852
_cell_angle_gamma   119.99955558
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCl3
_chemical_formula_sum   'Ti2 Cl6'
_cell_volume   199.95325018
_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  0.99998461  0.99998461  0.00003175  1.0
  Ti  Ti1  1  0.99999069  0.99999069  0.49997270  1.0
  Cl  Cl2  1  0.69533887  0.00002222  0.75011440  1.0
  Cl  Cl3  1  0.00001758  0.30469757  0.24988449  1.0
  Cl  Cl4  1  0.30469757  0.00001758  0.24988549  1.0
  Cl  Cl5  1  0.00002222  0.69533887  0.75011440  1.0
  Cl  Cl6  1  0.69529468  0.69529468  0.24983618  1.0
  Cl  Cl7  1  0.30465277  0.30465277  0.75015959  1.0