data_[Ba2Tl16Pb4]
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 [C2/m]
_cell_length_a [8.9214]
_cell_length_b [17.3741]
_cell_length_c [6.1061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.6986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(Tl4Pb)2]
_chemical_formula_sum '[Ba2 Tl16 Pb4]'
_cell_volume [738.6542]
_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  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  8  0.2306  0.1363  0.2484  1.0
  Tl  Tl2  4  0.0000  0.2094  0.5000  1.0
  Tl  Tl3  4  0.0187  0.5000  0.7671  1.0
  Pb  Pb4  4  0.0000  0.3268  0.0000  1.0
]