data_[Ba6Tl8Bi4Pb4]
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
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.0638]
_cell_length_b [5.0638]
_cell_length_c [33.2477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3Tl4(BiPb)2]
_chemical_formula_sum '[Ba6 Tl8 Bi4 Pb4]'
_cell_volume [852.5559]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.2011  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.0000  0.5000  0.1120  1.0
  Bi  Bi3  4  0.0000  0.0000  0.3131  1.0
  Pb  Pb4  4  0.0000  0.0000  0.4567  1.0
]