data_[Al2H2Pd6]
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]
_cell_length_a [5.6072]
_cell_length_b [4.1132]
_cell_length_c [5.8464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [AlHPd3]
_chemical_formula_sum '[Al2 H2 Pd6]'
_cell_volume [126.9223]
_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  0.2326  0.4285  0.8481  1
  Pd  Pd1  2  0.0977  0.4326  0.3880  1
  Pd  Pd2  2  0.2138  0.9282  0.1014  1
  H  H3  2  0.3515  0.7083  0.3943  1
  Pd  Pd4  2  0.4247  0.9292  0.6976  1
]