data_[Hg16Cl8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  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 [12.5233]
_cell_length_b [6.3041]
_cell_length_c [9.7600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg2ClO]
_chemical_formula_sum '[Hg16 Cl8 O8]'
_cell_volume [738.9202]
_cell_formula_units_Z [8]
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  0.0451  0.2432  0.3905  1
  Hg  Hg1  4  0.0000  0.2831  0.7500  1
  Hg  Hg2  4  0.2500  0.2500  0.0000  1
  Cl  Cl3  8  0.1847  0.1792  0.6301  1
  O  O4  8  0.0848  0.3195  0.9648  1
]