data_[Cs1Ti1H2Cl8]
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
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3925]
_cell_length_b [6.8352]
_cell_length_c [9.6988]
_cell_angle_alpha [84.4476]
_cell_angle_beta [71.6717]
_cell_angle_gamma [64.9645]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsTi(HCl4)2]
_chemical_formula_sum '[Cs1 Ti1 H2 Cl8]'
_cell_volume [364.1565]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Ti  Ti1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.4885  0.6946  0.6538  1.0
  Cl  Cl3  2  0.1474  0.7404  0.1570  1.0
  Cl  Cl4  2  0.1717  0.7280  0.8143  1.0
  Cl  Cl5  2  0.3373  0.3320  0.4706  1.0
  Cl  Cl6  2  0.3522  0.0774  0.9176  1.0
]