data_[Al4H4Pd12]
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 [Cm]
_cell_length_a [9.6782]
_cell_length_b [5.6413]
_cell_length_c [4.8031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlHPd3]
_chemical_formula_sum '[Al4 H4 Pd12]'
_cell_volume [251.6074]
_cell_formula_units_Z [4]
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  0.1797  0.5000  0.2020  1.0
  Al  Al1  2  0.4240  0.0000  0.6518  1.0
  Pd  Pd2  4  0.1635  0.2533  0.7092  1.0
  Pd  Pd3  4  0.4490  0.7609  0.1360  1.0
  H  H4  2  0.0575  0.0000  0.4049  1.0
  Pd  Pd5  2  0.2104  0.0000  0.2267  1.0
  H  H6  2  0.2974  0.5000  0.8592  1.0
  Pd  Pd7  2  0.4048  0.5000  0.6112  1.0
]