data_[Tl12Hg20Sb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Ibam]
_cell_length_a [10.9072]
_cell_length_b [16.5338]
_cell_length_c [7.2651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tl3Hg5Sb2]
_chemical_formula_sum '[Tl12 Hg20 Sb8]'
_cell_volume [1310.1647]
_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
[
  Tl  Tl0  8  0.2316  0.3396  0.0000  1.0
  Tl  Tl1  4  0.0000  0.0000  0.2500  1.0
  Hg  Hg2  8  0.0000  0.2237  0.2500  1.0
  Hg  Hg3  8  0.0766  0.3605  0.5000  1.0
  Hg  Hg4  4  0.0000  0.5000  0.2500  1.0
  Sb  Sb5  8  0.1579  0.1259  0.0000  1.0
]