data_[Hg4I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6341]
_cell_length_b [5.5113]
_cell_length_c [10.4676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hg2IO6]
_chemical_formula_sum '[Hg4 I2 O12]'
_cell_volume [280.5304]
_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
[
  Hg  Hg0  4  0.2157  0.5508  0.2045  1.0
  I  I1  2  0.5000  0.0000  0.5000  1.0
  O  O2  4  0.1745  0.6419  0.8308  1.0
  O  O3  4  0.2638  0.1967  0.5353  1.0
  O  O4  4  0.4826  0.7413  0.1264  1.0
]