data_[Cs4Na8Tl4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5068]
_cell_length_b [16.3587]
_cell_length_c [16.9634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsNa2TlBr4]
_chemical_formula_sum '[Cs4 Na8 Tl4 Br16]'
_cell_volume [1250.6291]
_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  0.1903  0.7500  1.0
  Na  Na1  8  0.0000  0.3723  0.5130  1.0
  Tl  Tl2  4  0.0000  0.0961  0.2500  1.0
  Br  Br3  8  0.0000  0.2276  0.0986  1.0
  Br  Br4  4  0.0000  0.0000  0.0000  1.0
  Br  Br5  4  0.0000  0.4716  0.2500  1.0
]