data_[Hg2H2O2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.2824]
_cell_length_b [3.9559]
_cell_length_c [5.5832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HgHOF]
_chemical_formula_sum '[Hg2 H2 O2 F2]'
_cell_volume [118.4521]
_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  0.1447  0.0000  0.6307  1.0
  H  H1  2  0.1693  0.5000  0.2457  1.0
  O  O2  2  0.2498  0.5000  0.4557  1.0
  F  F3  2  0.0535  0.5000  0.9142  1.0
]