data_[Cu2H6Pd12]
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 [P2_1/m]
_cell_length_a [9.2055]
_cell_length_b [2.7883]
_cell_length_c [9.2184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cu(HPd2)3]
_chemical_formula_sum '[Cu2 H6 Pd12]'
_cell_volume [228.3577]
_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  0.3642  0.2500  0.9648  1.0
  H  H1  2  0.0486  0.7500  0.1760  1.0
  Pd  Pd2  2  0.0522  0.7500  0.3812  1.0
  Pd  Pd3  2  0.0984  0.7500  0.9083  1.0
  H  H4  2  0.1678  0.2500  0.4973  1.0
  Pd  Pd5  2  0.2072  0.2500  0.1739  1.0
  Pd  Pd6  2  0.2423  0.7500  0.6892  1.0
  Pd  Pd7  2  0.3582  0.2500  0.4664  1.0
  H  H8  2  0.4263  0.7500  0.6426  1.0
  Pd  Pd9  2  0.4731  0.7500  0.2256  1.0
]