data_[Tl4Hg2Pb2I8]
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
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1697]
_cell_length_b [4.7977]
_cell_length_c [10.1533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2HgPbI4]
_chemical_formula_sum '[Tl4 Hg2 Pb2 I8]'
_cell_volume [686.1239]
_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  0.2017  0.0000  0.7069  1.0
  Hg  Hg1  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.1249  0.5000  0.9329  1.0
  I  I4  4  0.1489  0.0000  0.3263  1.0
]