data_[Tl1In1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  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 [6.5359]
_cell_length_b [7.9506]
_cell_length_c [9.1149]
_cell_angle_alpha [98.4676]
_cell_angle_beta [96.1080]
_cell_angle_gamma [95.5573]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlIn(GeBr4)2]
_chemical_formula_sum '[Tl1 In1 Ge2 Br8]'
_cell_volume [462.7683]
_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
  In  In1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4644  0.6258  0.7363  1.0
  Br  Br3  2  0.1744  0.6998  0.9000  1.0
  Br  Br4  2  0.2068  0.1869  0.8427  1.0
  Br  Br5  2  0.2759  0.6525  0.4919  1.0
  Br  Br6  2  0.3258  0.0741  0.2423  1.0
]