data_[Tl12Ge4Cl24]
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 [Cmc2_1]
_cell_length_a [12.0901]
_cell_length_b [16.1951]
_cell_length_c [7.8006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl3GeCl6]
_chemical_formula_sum '[Tl12 Ge4 Cl24]'
_cell_volume [1527.3684]
_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  8  0.1994  0.0911  0.5272  1.0
  Tl  Tl1  4  0.0000  0.4071  0.5371  1.0
  Ge  Ge2  4  0.0000  0.1887  0.9827  1.0
  Cl  Cl3  8  0.1506  0.2507  0.8563  1.0
  Cl  Cl4  8  0.1618  0.4959  0.2812  1.0
  Cl  Cl5  4  0.0000  0.0468  0.8897  1.0
  Cl  Cl6  4  0.0000  0.2201  0.2757  1.0
]