data_[Cs2Tl2Br4]
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 [Cm]
_cell_length_a [16.7988]
_cell_length_b [4.4637]
_cell_length_c [4.3075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5211]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsTlBr2]
_chemical_formula_sum '[Cs2 Tl2 Br4]'
_cell_volume [322.9833]
_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  0.0709  0.5000  0.1784  1.0
  Tl  Tl1  2  0.3090  0.5000  0.1582  1.0
  Br  Br2  2  0.2107  0.0000  0.6753  1.0
  Br  Br3  2  0.4539  0.5000  0.6736  1.0
]