data_[Tl4In8Hg4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3313]
_cell_length_b [16.8452]
_cell_length_c [9.4335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlIn2HgI6]
_chemical_formula_sum '[Tl4 In8 Hg4 I24]'
_cell_volume [2382.2376]
_cell_formula_units_Z [4]
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  0.0000  0.4881  0.7500  1.0
  In  In1  8  0.2295  0.3966  0.1698  1.0
  Hg  Hg2  4  0.0000  0.0929  0.2500  1.0
  I  I3  8  0.0481  0.3490  0.0547  1.0
  I  I4  8  0.1460  0.2203  0.7129  1.0
  I  I5  8  0.2443  0.4833  0.9054  1.0
]