data_[Cs2Tl4Br12]
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 [C2/m]
_cell_length_a [8.1849]
_cell_length_b [13.1723]
_cell_length_c [7.1475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs(TlBr3)2]
_chemical_formula_sum '[Cs2 Tl4 Br12]'
_cell_volume [769.3199]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  Tl  Tl1  4  0.0000  0.1594  0.5000  1
  Br  Br2  8  0.1765  0.2235  0.8080  1
  Br  Br3  4  0.2199  0.0000  0.3939  1
]