data_[Tl12Hg6Sb2]
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 [P2_1/m]
_cell_length_a [11.4440]
_cell_length_b [4.4444]
_cell_length_c [13.4966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl6Hg3Sb]
_chemical_formula_sum '[Tl12 Hg6 Sb2]'
_cell_volume [634.6384]
_cell_formula_units_Z [2]
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  2  0.0738  0.7500  0.2416  1.0
  Tl  Tl1  2  0.1792  0.2500  0.6794  1.0
  Tl  Tl2  2  0.2693  0.2500  0.1069  1.0
  Tl  Tl3  2  0.2803  0.7500  0.8837  1.0
  Tl  Tl4  2  0.3337  0.2500  0.4651  1.0
  Tl  Tl5  2  0.4226  0.7500  0.6855  1.0
  Hg  Hg6  2  0.0345  0.7500  0.9369  1.0
  Hg  Hg7  2  0.1167  0.7500  0.4936  1.0
  Hg  Hg8  2  0.4916  0.2500  0.8920  1.0
  Sb  Sb9  2  0.3694  0.7500  0.3060  1.0
]