data_[Cu2H6Pd2]
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 [P-1]
_cell_length_a [4.4988]
_cell_length_b [4.5305]
_cell_length_c [4.8059]
_cell_angle_alpha [72.5099]
_cell_angle_beta [68.0024]
_cell_angle_gamma [73.3455]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuH3Pd]
_chemical_formula_sum '[Cu2 H6 Pd2]'
_cell_volume [84.9289]
_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  2  0.4771  0.1999  0.1660  1
  H  H1  2  0.1109  0.2501  0.4679  1
  H  H2  2  0.1411  0.6938  0.9466  1
  Pd  Pd3  2  0.1856  0.4482  0.6996  1
  H  H4  2  0.4732  0.8054  0.2200  1
]