data_[Ba5Al5Pb1]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.1180]
_cell_length_b [6.1180]
_cell_length_c [11.2235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ba5Al5Pb]
_chemical_formula_sum '[Ba5 Al5 Pb1]'
_cell_volume [363.8126]
_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  0.0000  0.0000  0.3294  1.0
  Ba  Ba1  2  0.6667  0.3333  0.7991  1.0
  Ba  Ba2  1  0.3333  0.6667  0.0000  1.0
  Al  Al3  3  0.5118  0.0235  0.5000  1.0
  Al  Al4  2  0.3333  0.6667  0.6767  1.0
  Pb  Pb5  1  0.0000  0.0000  0.0000  1.0
]