data_[Na6Hg16Pb2]
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 [Cm]
_cell_length_a [8.7742]
_cell_length_b [9.7620]
_cell_length_c [7.6743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na3Hg8Pb]
_chemical_formula_sum '[Na6 Hg16 Pb2]'
_cell_volume [628.3195]
_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  0.4537  0.2543  0.5662  1
  Na  Na1  2  0.0616  0.5000  0.9414  1
  Hg  Hg2  4  0.1239  0.2560  0.2394  1
  Hg  Hg3  4  0.2868  0.2380  0.8954  1
  Hg  Hg4  2  0.1976  0.5000  0.5874  1
  Hg  Hg5  2  0.2209  0.0000  0.5942  1
  Hg  Hg6  2  0.3749  0.0000  0.2645  1
  Hg  Hg7  2  0.3880  0.5000  0.2799  1
  Pb  Pb8  2  0.0286  0.0000  0.9306  1
]