data_[H8Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7722]
_cell_length_b [3.0093]
_cell_length_c [4.5710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H4Pd3]
_chemical_formula_sum '[H8 Pd6]'
_cell_volume [122.1050]
_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
[
  H  H0  4  0.1069  0.5000  0.9728  1.0
  H  H1  4  0.1484  0.0000  0.4227  1.0
  Pd  Pd2  4  0.1686  0.5000  0.6699  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
]