data_[Hg2Cl4O2]
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]
_cell_length_a [7.0023]
_cell_length_b [4.9162]
_cell_length_c [6.5322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [HgCl2O]
_chemical_formula_sum '[Hg2 Cl4 O2]'
_cell_volume [214.4929]
_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  2  0.0000  0.6088  0.5000  1
  Cl  Cl1  4  0.2012  0.5985  0.2704  1
  O  O2  2  0.0000  0.9555  0.0000  1
]