data_[Na28Hg4Pb12]
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 [Cmcm]
_cell_length_a [3.5190]
_cell_length_b [26.3041]
_cell_length_c [14.3145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na7HgPb3]
_chemical_formula_sum '[Na28 Hg4 Pb12]'
_cell_volume [1325.0250]
_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  8  0.0000  0.2042  0.1111  1
  Na  Na1  8  0.0000  0.3452  0.0963  1
  Na  Na2  8  0.0000  0.4804  0.1167  1
  Na  Na3  4  0.0000  0.3988  0.7500  1
  Hg  Hg4  4  0.0000  0.0938  0.7500  1
  Pb  Pb5  8  0.0000  0.0837  0.0513  1
  Pb  Pb6  4  0.0000  0.2214  0.7500  1
]