data_[Cs4Tl8Ge4Br20]
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
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.1743]
_cell_length_b [9.1743]
_cell_length_c [16.3214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [CsTl2GeBr5]
_chemical_formula_sum '[Cs4 Tl8 Ge4 Br20]'
_cell_volume [1373.7465]
_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  0.0000  0.2500  1.0
  Tl  Tl1  8  0.1689  0.3311  0.0000  1.0
  Ge  Ge2  4  0.0000  0.5000  0.2500  1.0
  Br  Br3  16  0.1577  0.3423  0.3554  1.0
  Br  Br4  4  0.0000  0.0000  0.0000  1.0
]