data_[In4Hg8I24]
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 [14.8769]
_cell_length_b [13.6873]
_cell_length_c [7.9813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In(HgI3)2]
_chemical_formula_sum '[In4 Hg8 I24]'
_cell_volume [1600.3793]
_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  4  0.0000  0.1104  0.2500  1
  Hg  Hg1  8  0.1847  0.4190  0.3238  1
  I  I2  8  0.1157  0.0754  0.6150  1
  I  I3  8  0.1204  0.4077  0.6390  1
  I  I4  8  0.1296  0.2500  0.1219  1
]