data_[Hg2C2Cl1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7361]
_cell_length_b [5.8253]
_cell_length_c [6.1928]
_cell_angle_alpha [62.9759]
_cell_angle_beta [87.8714]
_cell_angle_gamma [76.9805]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Hg2C2ClO6]
_chemical_formula_sum '[Hg2 C2 Cl1 O6]'
_cell_volume [179.0907]
_cell_formula_units_Z [1]
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  0.2183  0.3810  0.2774  1
  C  C1  2  0.2206  0.8994  0.7877  1
  Cl  Cl2  1  0.5000  0.5000  0.5000  1
  O  O3  2  0.0879  0.1184  0.6227  1
  O  O4  2  0.0973  0.7184  0.9108  1
  O  O5  2  0.4412  0.8593  0.8359  1
]