data_[Cs3K6Tl3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.2757]
_cell_length_b [8.2757]
_cell_length_c [21.7724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsK2TlBr6]
_chemical_formula_sum '[Cs3 K6 Tl3 Br18]'
_cell_volume [1291.3521]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1909  1.0
  K  K1  3  0.0000  0.0000  0.4733  1.0
  K  K2  3  0.0000  0.0000  0.9889  1.0
  Tl  Tl3  3  0.0000  0.0000  0.6739  1.0
  Br  Br4  9  0.0193  0.7425  0.5929  1.0
  Br  Br5  9  0.0203  0.2953  0.7443  1.0
]