data_[Al16B112Pd240]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [16.6321]
_cell_length_b [16.6321]
_cell_length_c [16.6321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [AlB7Pd15]
_chemical_formula_sum '[Al16 B112 Pd240]'
_cell_volume [4600.9001]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.0000  1
  B  B1  48  0.0000  0.2500  0.2630  1
  B  B2  48  0.1190  0.1310  0.6250  1
  B  B3  16  0.1250  0.1250  0.1250  1
  Pd  Pd4  96  0.0008  0.1471  0.0773  1
  Pd  Pd5  96  0.0048  0.1426  0.9120  1
  Pd  Pd6  48  0.0056  0.1250  0.2444  1
]