data_[In8Ga8Hg16I32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.0709]
_cell_length_b [14.8113]
_cell_length_c [29.3303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [InGa(HgI2)2]
_chemical_formula_sum '[In8 Ga8 Hg16 I32]'
_cell_volume [3506.1760]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  8  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  16  0.0000  0.0000  0.1778  1.0
  I  I3  32  0.0455  0.1459  0.3050  1.0
]