data_[Na8Hg12F38]
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 [I23]
_cell_length_a [9.9620]
_cell_length_b [9.9620]
_cell_length_c [9.9620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [197]
_chemical_formula_structural [Na4Hg6F19]
_chemical_formula_sum '[Na8 Hg12 F38]'
_cell_volume [988.6410]
_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  8  0.1317  0.1317  0.8683  1
  Hg  Hg1  12  0.0000  0.3185  0.5000  1
  F  F2  24  0.0418  0.2993  0.7189  1
  F  F3  12  0.0000  0.0000  0.3522  1
  F  F4  2  0.0000  0.0000  0.0000  1
]