data_[Na4Tl20Sn4Hg8]
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
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.2202]
_cell_length_b [15.8511]
_cell_length_c [12.6593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl5SnHg2]
_chemical_formula_sum '[Na4 Tl20 Sn4 Hg8]'
_cell_volume [1047.5121]
_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  0.4226  0.4150  1
  Tl  Tl1  4  0.0000  0.0790  0.1064  1
  Tl  Tl2  4  0.0000  0.2467  0.5752  1
  Tl  Tl3  4  0.0000  0.2478  0.2681  1
  Tl  Tl4  4  0.0000  0.3970  0.7764  1
  Tl  Tl5  4  0.0000  0.4101  0.0836  1
  Sn  Sn6  4  0.0000  0.2302  0.9261  1
  Hg  Hg7  4  0.0000  0.0612  0.4195  1
  Hg  Hg8  4  0.0000  0.0916  0.7538  1
]