data_[Tl8Bi4Pb12]
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 [Cmcm]
_cell_length_a [10.2518]
_cell_length_b [11.2742]
_cell_length_c [6.7534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tl2BiPb3]
_chemical_formula_sum '[Tl8 Bi4 Pb12]'
_cell_volume [780.5563]
_cell_formula_units_Z [4]
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  8  0.1685  0.2634  0.2500  1.0
  Bi  Bi1  4  0.0000  0.2253  0.7500  1.0
  Pb  Pb2  8  0.1628  0.0000  0.0000  1.0
  Pb  Pb3  4  0.0000  0.5000  0.0000  1.0
]