data_[Hg2H4F6]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6195]
_cell_length_b [3.6721]
_cell_length_c [7.6150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HgH2F3]
_chemical_formula_sum '[Hg2 H4 F6]'
_cell_volume [156.0264]
_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  0.1829  0.2500  0.0536  1.0
  H  H1  2  0.2398  0.7500  0.4339  1.0
  H  H2  2  0.2939  0.7500  0.7153  1.0
  F  F3  2  0.1708  0.7500  0.5997  1.0
  F  F4  2  0.2913  0.7500  0.3108  1.0
  F  F5  2  0.4069  0.7500  0.8705  1.0
]