data_[Na4Tl20Hg8Pb4]
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 [4.0505]
_cell_length_b [16.4196]
_cell_length_c [16.2587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl5Hg2Pb]
_chemical_formula_sum '[Na4 Tl20 Hg8 Pb4]'
_cell_volume [1081.3233]
_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  0.4384  0.4096  1.0
  Tl  Tl1  4  0.0000  0.0970  0.0847  1.0
  Tl  Tl2  4  0.0000  0.2361  0.6039  1.0
  Tl  Tl3  4  0.0000  0.2793  0.2739  1.0
  Tl  Tl4  4  0.0000  0.3987  0.7625  1.0
  Tl  Tl5  4  0.0000  0.4294  0.0804  1.0
  Hg  Hg6  4  0.0000  0.0618  0.7497  1.0
  Hg  Hg7  4  0.0000  0.0972  0.4231  1.0
  Pb  Pb8  4  0.0000  0.2429  0.9362  1.0
]