data_[In4Hg4Pb2I12]
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
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2323]
_cell_length_b [8.7815]
_cell_length_c [9.5504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2Hg2PbI6]
_chemical_formula_sum '[In4 Hg4 Pb2 I12]'
_cell_volume [988.7859]
_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  0.0196  0.0000  0.1605  1
  Hg  Hg1  4  0.1262  0.5000  0.1463  1
  Pb  Pb2  2  0.0000  0.5000  0.5000  1
  I  I3  8  0.0979  0.2439  0.7784  1
  I  I4  4  0.2302  0.0000  0.4342  1
]