data_[Na4Tl20Hg8Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.4222]
_cell_length_b [16.3287]
_cell_length_c [12.2156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl5Hg2Sb]
_chemical_formula_sum '[Na4 Tl20 Hg8 Sb4]'
_cell_volume [1081.5441]
_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  0.4180  0.4173  1.0
  Tl  Tl1  4  0.0000  0.0871  0.1040  1.0
  Tl  Tl2  4  0.0000  0.2420  0.5751  1.0
  Tl  Tl3  4  0.0000  0.2517  0.2628  1.0
  Tl  Tl4  4  0.0000  0.3986  0.7738  1.0
  Tl  Tl5  4  0.0000  0.4184  0.0884  1.0
  Hg  Hg6  4  0.0000  0.0629  0.4274  1.0
  Hg  Hg7  4  0.0000  0.0839  0.7552  1.0
  Sb  Sb8  4  0.0000  0.2340  0.9199  1.0
]