data_[In2Hg4Cl2]
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 [Cm]
_cell_length_a [10.5173]
_cell_length_b [4.1707]
_cell_length_c [6.7627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InHg2Cl]
_chemical_formula_sum '[In2 Hg4 Cl2]'
_cell_volume [273.4278]
_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  2  0.0438  0.5000  0.4702  1
  Hg  Hg1  2  0.2680  0.5000  0.2685  1
  Hg  Hg2  2  0.4892  0.5000  0.0382  1
  Cl  Cl3  2  0.1990  0.0000  0.7230  1
]