data_[Al2H6Pd12]
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 [P2_1/m]
_cell_length_a [9.4339]
_cell_length_b [2.9120]
_cell_length_c [9.7187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al(HPd2)3]
_chemical_formula_sum '[Al2 H6 Pd12]'
_cell_volume [234.3218]
_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  2  0.2768  0.2500  0.9245  1.0
  Pd  Pd1  2  0.0662  0.7500  0.9192  1.0
  Pd  Pd2  2  0.0913  0.7500  0.3605  1.0
  H  H3  2  0.1588  0.7500  0.2123  1.0
  H  H4  2  0.1742  0.2500  0.5039  1.0
  Pd  Pd5  2  0.1987  0.7500  0.6827  1.0
  Pd  Pd6  2  0.2789  0.2500  0.2096  1.0
  Pd  Pd7  2  0.3942  0.2500  0.5506  1.0
  H  H8  2  0.4681  0.2500  0.3951  1.0
  Pd  Pd9  2  0.4944  0.7500  0.1317  1.0
]