data_[Ti2Cl13]
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 [P-1]
_cell_length_a [7.0655]
_cell_length_b [7.1097]
_cell_length_c [13.3285]
_cell_angle_alpha [76.7763]
_cell_angle_beta [84.3549]
_cell_angle_gamma [69.6602]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ti2Cl13]
_chemical_formula_sum '[Ti2 Cl13]'
_cell_volume [611.0124]
_cell_formula_units_Z [1]
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  0.2220  0.3504  0.6765  1.0
  Cl  Cl1  2  0.0316  0.2104  0.0921  1.0
  Cl  Cl2  2  0.0859  0.5590  0.2610  1.0
  Cl  Cl3  2  0.2369  0.1980  0.5496  1.0
  Cl  Cl4  2  0.3112  0.6213  0.6201  1.0
  Cl  Cl5  2  0.4288  0.1392  0.7974  1.0
  Cl  Cl6  2  0.4769  0.4176  0.9543  1.0
  Cl  Cl7  1  0.0000  0.0000  0.0000  1.0
]