data_[Cu2H2Pd6]
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 [4.7738]
_cell_length_b [4.8207]
_cell_length_c [5.5667]
_cell_angle_alpha [90.5739]
_cell_angle_beta [105.9014]
_cell_angle_gamma [98.7858]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuHPd3]
_chemical_formula_sum '[Cu2 H2 Pd6]'
_cell_volume [121.5781]
_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  0.2442  0.6184  0.6853  1.0
  Pd  Pd1  2  0.2412  0.6160  0.1909  1.0
  Pd  Pd2  2  0.2494  0.1330  0.4404  1.0
  Pd  Pd3  2  0.2534  0.1268  0.9365  1.0
  H  H4  2  0.4680  0.9754  0.2418  1.0
]