# generated using pymatgen
data_TiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03243525
_cell_length_b   6.03243730
_cell_length_c   6.16992070
_cell_angle_alpha   89.91747309
_cell_angle_beta   89.91746494
_cell_angle_gamma   120.37827142
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCl3
_chemical_formula_sum   'Ti2 Cl6'
_cell_volume   193.69830372
_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  0.67664826  0.32335174  0.00000000  1.0
  Ti  Ti1  1  0.32335174  0.67664826  -0.00000000  1.0
  Cl  Cl2  1  0.65518537  0.65518537  0.78681055  1.0
  Cl  Cl3  1  0.34481463  0.34481463  0.21318945  1.0
  Cl  Cl4  1  -0.00207825  0.34505549  0.76553967  1.0
  Cl  Cl5  1  0.34505549  -0.00207825  0.76553967  1.0
  Cl  Cl6  1  0.65494451  0.00207825  0.23446033  1.0
  Cl  Cl7  1  0.00207825  0.65494451  0.23446033  1.0