data_[Na4Hg6F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6889]
_cell_length_b [7.0580]
_cell_length_c [5.9451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Hg3F8]
_chemical_formula_sum '[Na4 Hg6 F16]'
_cell_volume [454.2662]
_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  0.2163  0.5000  0.6397  1.0
  Hg  Hg1  4  0.0000  0.2607  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.1240  0.2163  0.4122  1.0
  F  F4  4  0.0940  0.5000  0.8699  1.0
  F  F5  4  0.1167  0.0000  0.9478  1.0
]