data_[Cs2Rb4Ti2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Ti  1.5400  1.4000  0.8517
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.2724]
_cell_length_b [11.2760]
_cell_length_c [9.2291]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CsRb2TiCl6]
_chemical_formula_sum '[Cs2 Rb4 Ti2 Cl12]'
_cell_volume [756.8188]
_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  0.5000  0.6715  1.0
  Rb  Rb1  4  0.0000  0.2998  0.1581  1.0
  Ti  Ti2  2  0.0000  0.0000  0.8199  1.0
  Cl  Cl3  4  0.0000  0.2196  0.8154  1.0
  Cl  Cl4  4  0.2284  0.0000  0.0168  1.0
  Cl  Cl5  4  0.2417  0.0000  0.6390  1.0
]