data_[Ba6Al36Zn3Pd9]
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
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.3467]
_cell_length_b [9.3467]
_cell_length_c [18.4418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Al12ZnPd3]
_chemical_formula_sum '[Ba6 Al36 Zn3 Pd9]'
_cell_volume [1395.2525]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3959  1
  Al  Al1  18  0.0210  0.5105  0.6355  1
  Al  Al2  18  0.1067  0.2134  0.1211  1
  Zn  Zn3  3  0.0000  0.0000  0.0000  1
  Pd  Pd4  9  0.0000  0.5000  0.5000  1
]