data_[Tl12Sb6Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.1396]
_cell_length_b [5.0709]
_cell_length_c [13.3047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl6Sb3Pb]
_chemical_formula_sum '[Tl12 Sb6 Pb2]'
_cell_volume [685.3383]
_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  0.0830  0.2500  0.4514  1
  Tl  Tl1  2  0.2305  0.7500  0.9070  1
  Tl  Tl2  2  0.2501  0.7500  0.6578  1
  Tl  Tl3  2  0.2567  0.7500  0.1785  1
  Tl  Tl4  2  0.4191  0.2500  0.0728  1
  Tl  Tl5  2  0.4361  0.2500  0.5707  1
  Sb  Sb6  2  0.0767  0.2500  0.9954  1
  Sb  Sb7  2  0.2541  0.7500  0.4180  1
  Sb  Sb8  2  0.3930  0.2500  0.8106  1
  Pb  Pb9  2  0.0559  0.2500  0.7477  1
]