data_[Na18Hg36Pb3]
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 [R-3]
_cell_length_a [11.8979]
_cell_length_b [11.8979]
_cell_length_c [12.9441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na6Hg12Pb]
_chemical_formula_sum '[Na18 Hg36 Pb3]'
_cell_volume [1586.8616]
_cell_formula_units_Z [3]
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  18  0.0182  0.5910  0.7188  1.0
  Hg  Hg1  18  0.0512  0.8566  0.8140  1.0
  Hg  Hg2  18  0.0584  0.1927  0.4019  1.0
  Pb  Pb3  3  0.0000  0.0000  0.0000  1.0
]