data_[Hg8I4O20]
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 [Cmcm]
_cell_length_a [4.0514]
_cell_length_b [11.8998]
_cell_length_c [10.9752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hg2IO5]
_chemical_formula_sum '[Hg8 I4 O20]'
_cell_volume [529.1188]
_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
[
  Hg  Hg0  8  0.0000  0.1403  0.5773  1.0
  I  I1  4  0.0000  0.1604  0.2500  1.0
  O  O2  8  0.0000  0.0522  0.1220  1.0
  O  O3  8  0.0000  0.2848  0.1139  1.0
  O  O4  4  0.0000  0.3140  0.7500  1.0
]