data_[Na16Hg4Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1373]
_cell_length_b [5.2531]
_cell_length_c [8.0491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8Hg2Pb]
_chemical_formula_sum '[Na16 Hg4 Pb2]'
_cell_volume [661.9696]
_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  4  0.0312  0.0000  0.7492  1.0
  Na  Na1  4  0.1196  0.5000  0.4431  1.0
  Na  Na2  4  0.1595  0.0000  0.2163  1.0
  Na  Na3  4  0.1711  0.5000  0.9108  1.0
  Hg  Hg4  4  0.2042  0.0000  0.6676  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]