data_[Tl4Ge8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [15.4029]
_cell_length_b [12.1630]
_cell_length_c [9.7875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl(GeBr3)2]
_chemical_formula_sum '[Tl4 Ge8 Br24]'
_cell_volume [1601.2128]
_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
[
  Tl  Tl0  4  0.0000  0.0913  0.2500  1.0
  Ge  Ge1  8  0.2000  0.4282  0.2136  1.0
  Br  Br2  8  0.1193  0.1080  0.6518  1.0
  Br  Br3  8  0.1397  0.2396  0.1428  1.0
  Br  Br4  8  0.1703  0.4877  0.4484  1.0
]