data_[Tl6Sb8Pb8]
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 [Immm]
_cell_length_a [3.2962]
_cell_length_b [5.4320]
_cell_length_c [38.1185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tl3(SbPb)4]
_chemical_formula_sum '[Tl6 Sb8 Pb8]'
_cell_volume [682.5056]
_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  4  0.0000  0.0000  0.3628  1.0
  Tl  Tl1  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb2  4  0.0000  0.0000  0.1796  1.0
  Sb  Sb3  4  0.0000  0.5000  0.0433  1.0
  Pb  Pb4  4  0.0000  0.0000  0.0910  1.0
  Pb  Pb5  4  0.0000  0.5000  0.2267  1.0
]