data_[Tl6Hg2Pb12]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4545]
_cell_length_b [5.6456]
_cell_length_c [12.0833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl3HgPb6]
_chemical_formula_sum '[Tl6 Hg2 Pb12]'
_cell_volume [613.2539]
_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  0.1992  0.2500  0.9603  1
  Tl  Tl1  2  0.2049  0.7500  0.6382  1
  Tl  Tl2  2  0.4012  0.2500  0.7570  1
  Hg  Hg3  2  0.4050  0.7500  0.4426  1
  Pb  Pb4  2  0.0030  0.2500  0.1652  1
  Pb  Pb5  2  0.0085  0.7500  0.3433  1
  Pb  Pb6  2  0.2042  0.2500  0.4599  1
  Pb  Pb7  2  0.2076  0.7500  0.1430  1
  Pb  Pb8  2  0.3979  0.2500  0.2686  1
  Pb  Pb9  2  0.4061  0.7500  0.9381  1
]