data_[Cs2Ti4Cl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.1054]
_cell_length_b [6.2255]
_cell_length_c [12.0339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CsTi2Cl7]
_chemical_formula_sum '[Cs2 Ti4 Cl14]'
_cell_volume [531.9381]
_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
[
  Cs  Cs0  2  0.0000  0.3740  0.2500  1
  Ti  Ti1  4  0.4311  0.2380  0.5684  1
  Cl  Cl2  4  0.1420  0.1251  0.6220  1
  Cl  Cl3  4  0.2833  0.4226  0.9982  1
  Cl  Cl4  4  0.3851  0.0731  0.3835  1
  Cl  Cl5  2  0.5000  0.4131  0.7500  1
]