data_[Ba10Al4Pb10]
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 [C2/m]
_cell_length_a [18.6286]
_cell_length_b [4.5022]
_cell_length_c [13.6346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5Al2Pb5]
_chemical_formula_sum '[Ba10 Al4 Pb10]'
_cell_volume [929.1196]
_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  0.1166  0.5000  0.3116  1
  Ba  Ba1  4  0.1903  0.5000  0.0858  1
  Ba  Ba2  2  0.0000  0.0000  0.5000  1
  Al  Al3  4  0.1198  0.5000  0.7538  1
  Pb  Pb4  4  0.0744  0.0000  0.8247  1
  Pb  Pb5  4  0.1981  0.5000  0.6303  1
  Pb  Pb6  2  0.0000  0.0000  0.0000  1
]