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 [P1]
_cell_length_a [4.8560]
_cell_length_b [4.8821]
_cell_length_c [6.2282]
_cell_angle_alpha [104.6861]
_cell_angle_beta [104.8487]
_cell_angle_gamma [109.8338]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuHPd3]
_chemical_formula_sum '[Cu2 H2 Pd6]'
_cell_volume [124.4895]
_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  0.0690  0.6190  0.2149  1.0
  Cu  Cu1  1  0.9397  0.9818  0.9582  1.0
  Pd  Pd2  1  0.1907  0.2319  0.4451  1.0
  Pd  Pd3  1  0.3050  0.8503  0.7000  1.0
  Pd  Pd4  1  0.4338  0.4914  0.9636  1.0
  Pd  Pd5  1  0.5534  0.1049  0.1952  1.0
  H  H6  1  0.6259  0.2184  0.9332  1.0
  Pd  Pd7  1  0.6858  0.7250  0.4590  1.0
  H  H8  1  0.8105  0.1166  0.4667  1.0
  Pd  Pd9  1  0.8215  0.3783  0.7329  1.0
]