data_[Na6Hg18F36]
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 [R-3]
_cell_length_a [10.1097]
_cell_length_b [10.1097]
_cell_length_c [11.7214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NaHg3F6]
_chemical_formula_sum '[Na6 Hg18 F36]'
_cell_volume [1037.5006]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.0000  1.0
  Na  Na1  3  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  18  0.0424  0.2681  0.7047  1.0
  F  F3  18  0.0267  0.2160  0.9031  1.0
  F  F4  18  0.0284  0.1882  0.3739  1.0
]