# generated using pymatgen
data_TiCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11381816
_cell_length_b   6.11381816
_cell_length_c   7.22446110
_cell_angle_alpha   64.96743957
_cell_angle_beta   64.96743957
_cell_angle_gamma   59.99999829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCl3
_chemical_formula_sum   'Ti2 Cl6'
_cell_volume   204.04815274
_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  0.66657200  0.66657200  0.00028400  1.0
  Ti  Ti1  1  0.33342800  0.33342800  0.99971600  1.0
  Cl  Cl2  1  0.57265200  0.92581400  0.22311400  1.0
  Cl  Cl3  1  0.92581400  0.27842000  0.22311400  1.0
  Cl  Cl4  1  0.72158000  0.42734800  0.77688600  1.0
  Cl  Cl5  1  0.07418600  0.72158000  0.77688600  1.0
  Cl  Cl6  1  0.42734800  0.07418600  0.77688600  1.0
  Cl  Cl7  1  0.27842000  0.57265200  0.22311400  1.0