data_[Al8Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7106]
_cell_length_b [4.5726]
_cell_length_c [7.3097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al2Pd5]
_chemical_formula_sum '[Al8 Pd20]'
_cell_volume [421.1519]
_cell_formula_units_Z [4]
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
[
  Al  Al0  8  0.0866  0.2963  0.0992  1.0
  Pd  Pd1  8  0.1202  0.1968  0.4481  1.0
  Pd  Pd2  8  0.2170  0.3184  0.8186  1.0
  Pd  Pd3  4  0.0000  0.2603  0.7500  1.0
]