data_[Cs2Ti2Cl10]
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 [Imm2]
_cell_length_a [8.1927]
_cell_length_b [10.8811]
_cell_length_c [6.4388]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsTiCl5]
_chemical_formula_sum '[Cs2 Ti2 Cl10]'
_cell_volume [573.9919]
_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  0.0000  0.9294  1
  Ti  Ti1  2  0.0000  0.5000  0.9229  1
  Cl  Cl2  4  0.0000  0.3167  0.0892  1
  Cl  Cl3  4  0.2148  0.0000  0.4313  1
  Cl  Cl4  2  0.0000  0.5000  0.5760  1
]