data_[Tl2Ge2Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7565]
_cell_length_b [7.1933]
_cell_length_c [8.2260]
_cell_angle_alpha [88.4766]
_cell_angle_beta [74.0890]
_cell_angle_gamma [89.2733]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlGeCl3]
_chemical_formula_sum '[Tl2 Ge2 Cl6]'
_cell_volume [327.4561]
_cell_formula_units_Z [2]
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  0.0983  0.9066  0.5043  1.0
  Tl  Tl1  1  0.7757  0.4157  0.1174  1.0
  Ge  Ge2  1  0.2914  0.9129  0.9435  1.0
  Ge  Ge3  1  0.5228  0.4221  0.6901  1.0
  Cl  Cl4  1  0.1063  0.4355  0.7095  1.0
  Cl  Cl5  1  0.2447  0.6669  0.1465  1.0
  Cl  Cl6  1  0.2487  0.1548  0.1389  1.0
  Cl  Cl7  1  0.6110  0.1778  0.4963  1.0
  Cl  Cl8  1  0.6250  0.6637  0.4826  1.0
  Cl  Cl9  1  0.8838  0.9197  0.9353  1.0
]