# generated using pymatgen
data_TiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11256562
_cell_length_b   6.11256562
_cell_length_c   12.55353300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999589
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCl3
_chemical_formula_sum   'Ti4 Cl12'
_cell_volume   406.20352433
_cell_formula_units_Z   4
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  0.00000000  0.00000000  0.75000000  1.0
  Ti  Ti1  1  0.66666700  0.33333300  0.75000000  1.0
  Ti  Ti2  1  0.00000000  0.00000000  0.25000000  1.0
  Ti  Ti3  1  0.33333300  0.66666700  0.25000000  1.0
  Cl  Cl4  1  0.66654900  0.68607600  0.13815000  1.0
  Cl  Cl5  1  0.01952700  0.33345100  0.13815000  1.0
  Cl  Cl6  1  0.31392400  0.33345100  0.36185000  1.0
  Cl  Cl7  1  0.33345100  0.01952700  0.63815000  1.0
  Cl  Cl8  1  0.31392400  0.98047300  0.13815000  1.0
  Cl  Cl9  1  0.33345100  0.31392400  0.86185000  1.0
  Cl  Cl10  1  0.68607600  0.01952700  0.86185000  1.0
  Cl  Cl11  1  0.98047300  0.66654900  0.86185000  1.0
  Cl  Cl12  1  0.98047300  0.31392400  0.63815000  1.0
  Cl  Cl13  1  0.66654900  0.98047300  0.36185000  1.0
  Cl  Cl14  1  0.68607600  0.66654900  0.63815000  1.0
  Cl  Cl15  1  0.01952700  0.68607600  0.36185000  1.0