data_[Cd2H4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [9.3772]
_cell_length_b [2.8792]
_cell_length_c [9.1879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd(HPd3)2]
_chemical_formula_sum '[Cd2 H4 Pd12]'
_cell_volume [244.6332]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.0643  0.0000  0.8010  1.0
  H  H2  4  0.1266  0.0000  0.1855  1.0
  Pd  Pd3  4  0.1493  0.5000  0.0687  1.0
  Pd  Pd4  4  0.2465  0.0000  0.3625  1.0
]