data_[Ba8Tl16Pb12]
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 [Cmce]
_cell_length_a [6.8482]
_cell_length_b [18.5387]
_cell_length_c [9.9399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ba2Tl4Pb3]
_chemical_formula_sum '[Ba8 Tl16 Pb12]'
_cell_volume [1261.9409]
_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
[
  Ba  Ba0  8  0.0000  0.1133  0.5793  1
  Tl  Tl1  8  0.0000  0.1786  0.9765  1
  Tl  Tl2  8  0.2500  0.0561  0.2500  1
  Pb  Pb3  8  0.2500  0.2263  0.2500  1
  Pb  Pb4  4  0.0000  0.0000  0.0000  1
]