data_[Cs24Na18Tl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.6066]
_cell_length_b [13.6066]
_cell_length_c [20.1714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs8Na6Tl]
_chemical_formula_sum '[Cs24 Na18 Tl3]'
_cell_volume [3234.2101]
_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  18  0.0812  0.5406  0.8507  1
  Cs  Cs1  6  0.0000  0.0000  0.3797  1
  Na  Na2  18  0.0457  0.5229  0.6362  1
  Tl  Tl3  3  0.0000  0.0000  0.0000  1
]