data_[Cs4Ba2Tl2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [8.2711]
_cell_length_b [8.2711]
_cell_length_c [11.7450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Cs2BaTlCl6]
_chemical_formula_sum '[Cs4 Ba2 Tl2 Cl12]'
_cell_volume [803.4868]
_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  4  0.0000  0.5000  0.2166  1.0
  Ba  Ba1  2  0.0000  0.0000  0.4988  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0001  1.0
  Cl  Cl3  8  0.2428  0.2428  0.0156  1.0
  Cl  Cl4  2  0.0000  0.0000  0.2443  1.0
  Cl  Cl5  2  0.0000  0.0000  0.7593  1.0
]