data_[Al2H4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3905]
_cell_length_b [5.6315]
_cell_length_c [6.6864]
_cell_angle_alpha [99.8842]
_cell_angle_beta [101.7566]
_cell_angle_gamma [117.8240]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Al(HPd2)2]
_chemical_formula_sum '[Al2 H4 Pd8]'
_cell_volume [167.1934]
_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
[
  Al  Al0  1  0.0138  0.9156  0.0137  1.0
  Al  Al1  1  0.2657  0.7864  0.4636  1.0
  Pd  Pd2  1  0.0507  0.4626  0.0769  1.0
  H  H3  1  0.0724  0.4152  0.8062  1.0
  Pd  Pd4  1  0.2212  0.2653  0.4076  1.0
  Pd  Pd5  1  0.4178  0.1527  0.8262  1.0
  H  H6  1  0.4217  0.3064  0.2074  1.0
  Pd  Pd7  1  0.4551  0.6779  0.8338  1.0
  H  H8  1  0.4992  0.4097  0.6794  1.0
  Pd  Pd9  1  0.5652  0.0752  0.2271  1.0
  Pd  Pd10  1  0.7192  0.6571  0.2536  1.0
  Pd  Pd11  1  0.8318  0.0432  0.6617  1.0
  H  H12  1  0.8415  0.0207  0.3888  1.0
  Pd  Pd13  1  0.8748  0.5621  0.6541  1.0
]