data_[Tl1Sn1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9762]
_cell_length_b [7.1748]
_cell_length_c [9.1685]
_cell_angle_alpha [85.3957]
_cell_angle_beta [85.3709]
_cell_angle_gamma [84.3531]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlSn(GeBr4)2]
_chemical_formula_sum '[Tl1 Sn1 Ge2 Br8]'
_cell_volume [453.9833]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4423  0.4537  0.7509  1.0
  Br  Br3  2  0.2341  0.8059  0.2111  1.0
  Br  Br4  2  0.2362  0.8048  0.7856  1.0
  Br  Br5  2  0.2509  0.3046  0.9733  1.0
  Br  Br6  2  0.2889  0.3407  0.5443  1.0
]