data_[Tl2Hg1Ge1Cl6]
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 [P1]
_cell_length_a [7.2875]
_cell_length_b [7.6225]
_cell_length_c [7.7056]
_cell_angle_alpha [99.6565]
_cell_angle_beta [112.4240]
_cell_angle_gamma [115.2435]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2HgGeCl6]
_chemical_formula_sum '[Tl2 Hg1 Ge1 Cl6]'
_cell_volume [328.7556]
_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  1  0.9321  0.9742  0.9036  1.0
  Tl  Tl1  1  0.9402  0.4707  0.4088  1.0
  Hg  Hg2  1  0.4406  0.6850  0.1182  1.0
  Ge  Ge3  1  0.3800  0.1740  0.5645  1.0
  Cl  Cl4  1  0.2159  0.8176  0.2188  1.0
  Cl  Cl5  1  0.3053  0.9718  0.7597  1.0
  Cl  Cl6  1  0.4060  0.5193  0.7754  1.0
  Cl  Cl7  1  0.4122  0.3994  0.2582  1.0
  Cl  Cl8  1  0.7917  0.3090  0.7296  1.0
  Cl  Cl9  1  0.8530  0.0175  0.2784  1.0
]