data_[Hg6H2F8]
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 [Pmmn]
_cell_length_a [4.8573]
_cell_length_b [7.0418]
_cell_length_c [7.7444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Hg3HF4]
_chemical_formula_sum '[Hg6 H2 F8]'
_cell_volume [264.8916]
_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  4  0.0000  0.3067  0.6900  1
  Hg  Hg1  2  0.0000  0.0000  0.1405  1
  H  H2  2  0.0000  0.5000  0.2140  1
  F  F3  4  0.0000  0.2904  0.3873  1
  F  F4  2  0.0000  0.0000  0.7688  1
  F  F5  2  0.0000  0.5000  0.0893  1
]