data_[Hg2H12O4F4]
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 [C2/m]
_cell_length_a [12.6592]
_cell_length_b [4.3488]
_cell_length_c [5.1404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgH6(OF)2]
_chemical_formula_sum '[Hg2 H12 O4 F4]'
_cell_volume [267.4234]
_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  0.5000  0.5000  1.0
  H  H1  8  0.1965  0.1970  0.2042  1.0
  H  H2  4  0.1879  0.0000  0.9238  1.0
  O  O3  4  0.1622  0.0000  0.0964  1.0
  F  F4  4  0.2471  0.0000  0.7204  1.0
]