data_[In4Hg8I4]
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/m]
_cell_length_a [12.6885]
_cell_length_b [4.9536]
_cell_length_c [9.4421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InHg2I]
_chemical_formula_sum '[In4 Hg8 I4]'
_cell_volume [575.6521]
_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  0.0850  0.5000  0.8818  1.0
  Hg  Hg1  4  0.0989  0.0000  0.6575  1.0
  Hg  Hg2  4  0.1496  0.5000  0.4390  1.0
  I  I3  4  0.1610  0.0000  0.1269  1.0
]