data_[Cs8Ba4Tl4Cl20]
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 [Cmc2_1]
_cell_length_a [4.8019]
_cell_length_b [19.9998]
_cell_length_c [15.5851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2BaTlCl5]
_chemical_formula_sum '[Cs8 Ba4 Tl4 Cl20]'
_cell_volume [1496.7325]
_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  4  0.0000  0.0841  0.6627  1
  Cs  Cs1  4  0.0000  0.1325  0.2955  1
  Ba  Ba2  4  0.0000  0.2266  0.0241  1
  Tl  Tl3  4  0.0000  0.4612  0.4548  1
  Cl  Cl4  4  0.0000  0.0780  0.0701  1
  Cl  Cl5  4  0.0000  0.2610  0.6537  1
  Cl  Cl6  4  0.0000  0.2977  0.4013  1
  Cl  Cl7  4  0.0000  0.3776  0.9920  1
  Cl  Cl8  4  0.0000  0.4940  0.7696  1
]