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 [11.1922]
_cell_length_b [5.2174]
_cell_length_c [13.3812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl6Bi3Pb]
_chemical_formula_sum '[Tl12 Bi6 Pb2]'
_cell_volume [710.4865]
_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  0.0869  0.7500  0.8264  1
  Tl  Tl1  2  0.1312  0.7500  0.5635  1
  Tl  Tl2  2  0.3322  0.7500  0.0983  1
  Tl  Tl3  2  0.3502  0.2500  0.9347  1
  Tl  Tl4  2  0.3713  0.7500  0.4509  1
  Tl  Tl5  2  0.4019  0.2500  0.6561  1
  Bi  Bi6  2  0.0901  0.2500  0.0059  1
  Bi  Bi7  2  0.1604  0.2500  0.4116  1
  Bi  Bi8  2  0.4008  0.7500  0.8074  1
  Pb  Pb9  2  0.3243  0.2500  0.2565  1
]