data_[In4Hg2Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9129]
_cell_length_b [9.3778]
_cell_length_c [6.5394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2HgCl8]
_chemical_formula_sum '[In4 Hg2 Cl16]'
_cell_volume [785.6969]
_cell_formula_units_Z [2]
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  0.2034  0.0000  0.6597  1
  Hg  Hg1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.0983  0.1904  0.7855  1
  Cl  Cl3  4  0.1196  0.5000  0.2159  1
  Cl  Cl4  4  0.1855  0.0000  0.2888  1
]