data_[Na12Sn20Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [13.6655]
_cell_length_b [14.1090]
_cell_length_c [6.4848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na3Sn5Hg2]
_chemical_formula_sum '[Na12 Sn20 Hg8]'
_cell_volume [1250.3170]
_cell_formula_units_Z [4]
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  0.1612  0.2899  0.0000  1.0
  Na  Na1  4  0.0000  0.0000  0.2500  1.0
  Sn  Sn2  8  0.1398  0.3696  0.5000  1.0
  Sn  Sn3  8  0.2291  0.0000  0.2500  1.0
  Sn  Sn4  4  0.0000  0.5000  0.2500  1.0
  Hg  Hg5  8  0.0508  0.1751  0.5000  1.0
]