data_[Ba16Tl24Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [10.1780]
_cell_length_b [10.2937]
_cell_length_c [17.8080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2Tl3Pb]
_chemical_formula_sum '[Ba16 Tl24 Pb8]'
_cell_volume [1865.7457]
_cell_formula_units_Z [8]
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
[
  Ba  Ba0  8  0.2453  0.0000  0.5000  1
  Ba  Ba1  8  0.2500  0.2500  0.2500  1
  Tl  Tl2  16  0.0000  0.2470  0.0826  1
  Tl  Tl3  8  0.0000  0.0000  0.1647  1
  Pb  Pb4  8  0.0000  0.0000  0.3329  1
]