data_[In8Hg4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [20.1744]
_cell_length_b [13.2996]
_cell_length_c [7.5541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In2HgI6]
_chemical_formula_sum '[In8 Hg4 I24]'
_cell_volume [1898.4458]
_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
[
  In  In0  8  0.1656  0.3959  0.7403  1.0
  Hg  Hg1  4  0.0000  0.0132  0.2500  1.0
  I  I2  8  0.0907  0.2418  0.5341  1.0
  I  I3  8  0.1093  0.4186  0.0438  1.0
  I  I4  8  0.1928  0.0985  0.1209  1.0
]