data_[Na16Hg2Bi4]
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 [Immm]
_cell_length_a [5.2868]
_cell_length_b [8.9372]
_cell_length_c [14.3521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na8HgBi2]
_chemical_formula_sum '[Na16 Hg2 Bi4]'
_cell_volume [678.1320]
_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  0.0000  0.2126  0.3398  1.0
  Na  Na1  4  0.0000  0.0000  0.1469  1.0
  Na  Na2  4  0.0000  0.3146  0.0000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi4  4  0.0000  0.5000  0.1977  1.0
]