data_[Tl12Bi6Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.8138]
_cell_length_b [5.5374]
_cell_length_c [13.1620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl6Bi3Pb]
_chemical_formula_sum '[Tl12 Bi6 Pb2]'
_cell_volume [721.0452]
_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  0.0716  0.7500  0.4361  1.0
  Tl  Tl1  2  0.2189  0.2500  0.9015  1.0
  Tl  Tl2  2  0.2566  0.2500  0.1776  1.0
  Tl  Tl3  2  0.2705  0.2500  0.6714  1.0
  Tl  Tl4  2  0.4183  0.7500  0.0677  1.0
  Tl  Tl5  2  0.4231  0.7500  0.5568  1.0
  Bi  Bi6  2  0.0819  0.7500  0.0014  1.0
  Bi  Bi7  2  0.2556  0.2500  0.4212  1.0
  Bi  Bi8  2  0.4168  0.7500  0.8102  1.0
  Pb  Pb9  2  0.0740  0.7500  0.7518  1.0
]