data_[Ti2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.7660]
_cell_length_b [8.0146]
_cell_length_c [6.0164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TiCl4]
_chemical_formula_sum '[Ti2 Cl8]'
_cell_volume [312.2109]
_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  2  0.0000  0.1493  0.2500  1.0
  Cl  Cl1  4  0.2044  0.0949  0.9986  1.0
  Cl  Cl2  4  0.2230  0.3263  0.4640  1.0
]