data_[Na4Tl20Hg4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5278]
_cell_length_b [19.9781]
_cell_length_c [15.6806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl5HgPb2]
_chemical_formula_sum '[Na4 Tl20 Hg4 Pb8]'
_cell_volume [1105.1565]
_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  0.0000  0.4579  0.3840  1.0
  Tl  Tl1  4  0.0000  0.0349  0.5376  1.0
  Tl  Tl2  4  0.0000  0.2904  0.3667  1.0
  Tl  Tl3  4  0.0000  0.2982  0.6959  1.0
  Tl  Tl4  4  0.0000  0.3046  0.0359  1.0
  Tl  Tl5  4  0.0000  0.4657  0.7012  1.0
  Hg  Hg6  4  0.0000  0.1285  0.0281  1.0
  Pb  Pb7  4  0.0000  0.1228  0.3626  1.0
  Pb  Pb8  4  0.0000  0.1239  0.7120  1.0
]