data_[Tl4Ge4Cl12]
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 [P2_1/c]
_cell_length_a [9.8788]
_cell_length_b [8.6785]
_cell_length_c [10.0341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlGeCl3]
_chemical_formula_sum '[Tl4 Ge4 Cl12]'
_cell_volume [773.7035]
_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  4  0.1166  0.2286  0.0738  1.0
  Ge  Ge1  4  0.2825  0.6028  0.3789  1.0
  Cl  Cl2  4  0.0198  0.5359  0.2212  1.0
  Cl  Cl3  4  0.2409  0.6276  0.5932  1.0
  Cl  Cl4  4  0.3559  0.1609  0.9161  1.0
]