data_[Cs12K3Tl9Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.5804]
_cell_length_b [9.5804]
_cell_length_c [23.4057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs4KTl3Cl8]
_chemical_formula_sum '[Cs12 K3 Tl9 Cl24]'
_cell_volume [1860.4672]
_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  9  0.0000  0.5000  0.0000  1.0
  Cs  Cs1  3  0.0000  0.0000  0.0000  1.0
  K  K2  3  -0.0000  -0.0000  0.5000  1.0
  Tl  Tl3  9  0.0000  0.5000  0.5000  1.0
  Cl  Cl4  18  0.0034  0.5017  0.2427  1.0
  Cl  Cl5  6  0.0000  0.0000  0.2435  1.0
]