data_[Na16Hg24Bi8]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.6593]
_cell_length_b [10.1942]
_cell_length_c [17.7990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Na2Hg3Bi]
_chemical_formula_sum '[Na16 Hg24 Bi8]'
_cell_volume [1389.7468]
_cell_formula_units_Z [8]
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  0.2455  0.0000  0.5000  1.0
  Na  Na1  8  0.2500  0.2500  0.2500  1.0
  Hg  Hg2  16  0.0000  0.2419  0.4177  1.0
  Hg  Hg3  8  0.0000  0.0000  0.3322  1.0
  Bi  Bi4  8  0.0000  0.0000  0.1618  1.0
]