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 [Cc]
_cell_length_a [13.6456]
_cell_length_b [7.3923]
_cell_length_c [8.1109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [TlGeCl3]
_chemical_formula_sum '[Tl4 Ge4 Cl12]'
_cell_volume [670.4542]
_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  0.4566  0.2342  0.5920  1.0
  Ge  Ge1  4  0.2573  0.7350  0.3463  1.0
  Cl  Cl2  4  0.2156  0.4635  0.4564  1.0
  Cl  Cl3  4  0.2969  0.0780  0.1235  1.0
  Cl  Cl4  4  0.4644  0.3308  0.9980  1.0
]