data_[Al8Pd24]
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 [I-4]
_cell_length_a [9.9156]
_cell_length_b [9.9156]
_cell_length_c [4.9404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [AlPd3]
_chemical_formula_sum '[Al8 Pd24]'
_cell_volume [485.7320]
_cell_formula_units_Z [8]
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  0.0305  0.7118  0.0189  1.0
  Pd  Pd1  8  0.0215  0.6408  0.5196  1.0
  Pd  Pd2  8  0.0832  0.1052  0.7350  1.0
  Pd  Pd3  8  0.1856  0.2184  0.2494  1.0
]