data_[Hg24I4Cl4O8]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1430]
_cell_length_b [12.0111]
_cell_length_c [8.8673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg6IClO2]
_chemical_formula_sum '[Hg24 I4 Cl4 O8]'
_cell_volume [1383.9077]
_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  0.0717  0.4278  0.5459  1
  Hg  Hg1  8  0.1811  0.0337  0.2563  1
  Hg  Hg2  8  0.1956  0.1700  0.6523  1
  I  I3  4  0.0000  0.1878  0.2500  1
  Cl  Cl4  4  0.0000  0.2704  0.7500  1
  O  O5  8  0.2184  0.3431  0.5949  1
]