data_[Tb1Tl1Ge2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2032]
_cell_length_b [7.7300]
_cell_length_c [9.5825]
_cell_angle_alpha [85.8103]
_cell_angle_beta [87.4105]
_cell_angle_gamma [86.8327]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbTl(GeI4)2]
_chemical_formula_sum '[Tb1 Tl1 Ge2 I8]'
_cell_volume [530.8707]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.4633  0.4643  0.7449  1.0
  I  I3  2  0.2393  0.3238  0.9772  1.0
  I  I4  2  0.2465  0.8279  0.7789  1.0
  I  I5  2  0.2587  0.8424  0.2266  1.0
  I  I6  2  0.2753  0.3594  0.5280  1.0
]