data_[Ba6Tl4Pb8]
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 [13.0322]
_cell_length_b [5.2939]
_cell_length_c [10.3931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(TlPb2)2]
_chemical_formula_sum '[Ba6 Tl4 Pb8]'
_cell_volume [691.4368]
_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  0.1333  0.5000  0.6879  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.1962  0.5000  0.3620  1.0
  Pb  Pb3  4  0.0637  0.0000  0.3843  1.0
  Pb  Pb4  4  0.2016  0.5000  0.0496  1.0
]