data_[Na4Hg2H2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [Pnnm]
_cell_length_a [4.5724]
_cell_length_b [6.1982]
_cell_length_c [9.9935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Na2HgHF6]
_chemical_formula_sum '[Na4 Hg2 H2 F12]'
_cell_volume [283.2212]
_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
[
  Na  Na0  4  0.0000  0.0000  0.1807  1.0
  Hg  Hg1  2  0.0000  0.5000  0.0000  1.0
  H  H2  2  0.0000  0.5000  0.5000  1.0
  F  F3  8  0.2146  0.3397  0.1547  1.0
  F  F4  4  0.2109  0.3972  0.5000  1.0
]