data_[Cs8Tl8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [23.7642]
_cell_length_b [7.9642]
_cell_length_c [7.6419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Cs2Tl2Cl5]
_chemical_formula_sum '[Cs8 Tl8 Cl20]'
_cell_volume [1446.3309]
_cell_formula_units_Z [4]
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  8  0.1083  0.0145  0.5132  1.0
  Tl  Tl1  4  0.0000  0.0000  0.0145  1.0
  Tl  Tl2  4  0.2500  0.5489  0.4768  1.0
  Cl  Cl3  8  0.0069  0.7494  0.2639  1.0
  Cl  Cl4  8  0.1208  0.0343  0.0172  1.0
  Cl  Cl5  4  0.2500  0.5926  0.0842  1.0
]