data_[In8Hg4I4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3314]
_cell_length_b [4.8822]
_cell_length_c [10.6423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2HgICl]
_chemical_formula_sum '[In8 Hg4 I4 Cl4]'
_cell_volume [725.2108]
_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  0.1241  0.5000  0.6105  1.0
  In  In1  4  0.1370  0.0000  0.0677  1.0
  Hg  Hg2  4  0.0218  0.0000  0.3344  1.0
  I  I3  4  0.2180  0.5000  0.3194  1.0
  Cl  Cl4  4  0.1555  0.5000  0.9005  1.0
]