data_[Na16Hg4Bi8]
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 [Cm]
_cell_length_a [14.5706]
_cell_length_b [6.7283]
_cell_length_c [8.7868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na4HgBi2]
_chemical_formula_sum '[Na16 Hg4 Bi8]'
_cell_volume [859.4623]
_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  4  0.0696  0.2527  0.1079  1.0
  Na  Na1  4  0.0752  0.2428  0.6371  1.0
  Na  Na2  4  0.3183  0.2519  0.6211  1.0
  Na  Na3  2  0.2838  0.0000  0.0344  1.0
  Na  Na4  2  0.3690  0.5000  0.2412  1.0
  Hg  Hg5  2  0.4360  0.5000  0.8789  1.0
  Hg  Hg6  2  0.4582  0.0000  0.8507  1.0
  Bi  Bi7  2  0.1714  0.5000  0.3809  1.0
  Bi  Bi8  2  0.1954  0.0000  0.3685  1.0
  Bi  Bi9  2  0.2177  0.5000  0.8991  1.0
  Bi  Bi10  2  0.4353  0.0000  0.3642  1.0
]