data_[Cu2H4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8517]
_cell_length_b [4.9555]
_cell_length_c [7.4024]
_cell_angle_alpha [72.0300]
_cell_angle_beta [72.6290]
_cell_angle_gamma [81.1916]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cu(HPd2)2]
_chemical_formula_sum '[Cu2 H4 Pd8]'
_cell_volume [161.2070]
_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
[
  Cu  Cu0  1  0.3712  0.9266  0.4043  1.0
  Cu  Cu1  1  0.8976  0.8428  0.0850  1.0
  Pd  Pd2  1  0.3781  0.3316  0.5936  1.0
  Pd  Pd3  1  0.3810  0.7380  0.7891  1.0
  Pd  Pd4  1  0.3906  0.5420  0.1996  1.0
  Pd  Pd5  1  0.3908  0.1261  0.0045  1.0
  H  H6  1  0.6221  0.7883  0.9281  1.0
  H  H7  1  0.6407  0.3698  0.7194  1.0
  H  H8  1  0.6422  0.2267  0.1308  1.0
  Pd  Pd9  1  0.8777  0.6370  0.4917  1.0
  Pd  Pd10  1  0.8780  0.2023  0.2983  1.0
  Pd  Pd11  1  0.8891  0.0341  0.6944  1.0
  Pd  Pd12  1  0.8918  0.4408  0.8958  1.0
  H  H13  1  0.9990  0.5440  0.2654  1.0
]