data_[Na4Hg12Pb12]
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 [10.5146]
_cell_length_b [9.6354]
_cell_length_c [8.1597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(HgPb)3]
_chemical_formula_sum '[Na4 Hg12 Pb12]'
_cell_volume [825.7833]
_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  0.2441  0.5000  0.0342  1.0
  Hg  Hg1  8  0.2411  0.2702  0.7527  1.0
  Hg  Hg2  4  0.0287  0.0000  0.2069  1.0
  Pb  Pb3  4  0.0000  0.2056  0.5000  1.0
  Pb  Pb4  4  0.0000  0.2754  0.0000  1.0
  Pb  Pb5  4  0.1732  0.5000  0.4686  1.0
]