data_[Ba3Al2Sn9Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [8.3834]
_cell_length_b [8.3834]
_cell_length_c [8.7014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Al2Sn9Pb]
_chemical_formula_sum '[Ba3 Al2 Sn9 Pb1]'
_cell_volume [529.6178]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.6799  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Al  Al2  2  0.3333  0.6667  0.0876  1
  Sn  Sn3  6  0.1986  0.3972  0.3218  1
  Sn  Sn4  3  0.0000  0.5000  0.0000  1
  Pb  Pb5  1  0.0000  0.0000  0.5000  1
]