data_[Tl16Hg24Sb8]
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 [Fmmm]
_cell_length_a [7.5730]
_cell_length_b [10.2990]
_cell_length_c [18.3767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tl2Hg3Sb]
_chemical_formula_sum '[Tl16 Hg24 Sb8]'
_cell_volume [1433.2799]
_cell_formula_units_Z [8]
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  0.2436  0.0000  0.0000  1.0
  Tl  Tl1  8  0.2500  0.2500  0.2500  1.0
  Hg  Hg2  16  0.0000  0.2479  0.4164  1.0
  Hg  Hg3  8  0.0000  0.0000  0.1657  1.0
  Sb  Sb4  8  0.0000  0.0000  0.3339  1.0
]