data_[Tl4Hg2Au2I12]
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
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5583]
_cell_length_b [7.9424]
_cell_length_c [9.6320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2HgAuI6]
_chemical_formula_sum '[Tl4 Hg2 Au2 I12]'
_cell_volume [876.2468]
_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  0.1902  0.0000  0.1744  1.0
  Hg  Hg1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  2  0.0000  0.5000  0.0000  1.0
  I  I3  8  0.0595  0.2496  0.8421  1.0
  I  I4  4  0.2304  0.0000  0.5911  1.0
]