data_[Tl2Hg1Ge2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3011]
_cell_length_b [7.7176]
_cell_length_c [8.3628]
_cell_angle_alpha [77.7543]
_cell_angle_beta [66.9279]
_cell_angle_gamma [75.2779]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2Hg(GeCl3)2]
_chemical_formula_sum '[Tl2 Hg1 Ge2 Cl6]'
_cell_volume [415.9259]
_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
[
  Tl  Tl0  2  0.4493  0.7949  0.8116  1.0
  Hg  Hg1  1  0.5000  0.5000  0.5000  1.0
  Ge  Ge2  2  0.1094  0.7669  0.3806  1.0
  Cl  Cl3  2  0.1798  0.5556  0.1879  1.0
  Cl  Cl4  2  0.2338  0.0010  0.1586  1.0
  Cl  Cl5  2  0.2341  0.1237  0.5956  1.0
]