data_[Tl4Ag4Ge8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  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 [12.0648]
_cell_length_b [16.2854]
_cell_length_c [10.2522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAg(GeBr3)2]
_chemical_formula_sum '[Tl4 Ag4 Ge8 Br24]'
_cell_volume [1701.9364]
_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  0.0618  0.2500  1.0
  Ag  Ag1  4  0.0000  0.2247  0.7500  1.0
  Ge  Ge2  8  0.1461  0.4205  0.1795  1.0
  Br  Br3  8  0.0974  0.0992  0.6410  1.0
  Br  Br4  8  0.1133  0.2863  0.0381  1.0
  Br  Br5  8  0.1649  0.4769  0.5073  1.0
]