data_[Tl4Hg2Ge2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8738]
_cell_length_b [4.5506]
_cell_length_c [10.1185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2HgGeI4]
_chemical_formula_sum '[Tl4 Hg2 Ge2 I8]'
_cell_volume [628.4293]
_cell_formula_units_Z [2]
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  0.1987  0.0000  0.7076  1.0
  Hg  Hg1  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.1172  0.5000  0.9388  1.0
  I  I4  4  0.1402  0.0000  0.3149  1.0
]