data_[Cs8Tl8Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [24.5914]
_cell_length_b [8.4573]
_cell_length_c [8.0196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Cs2Tl2Br5]
_chemical_formula_sum '[Cs8 Tl8 Br20]'
_cell_volume [1667.9029]
_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  8  0.1071  0.0207  0.5148  1.0
  Tl  Tl1  4  0.0000  0.0000  0.0164  1.0
  Tl  Tl2  4  0.2500  0.5565  0.4690  1.0
  Br  Br3  8  0.0087  0.7493  0.2656  1.0
  Br  Br4  8  0.1225  0.0405  0.0198  1.0
  Br  Br5  4  0.2500  0.5915  0.0781  1.0
]