data_[Cu2H12Pd10]
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 [C2/m]
_cell_length_a [5.0984]
_cell_length_b [8.6865]
_cell_length_c [5.0393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuH6Pd5]
_chemical_formula_sum '[Cu2 H12 Pd10]'
_cell_volume [208.5162]
_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  0.0000  0.0000  0.0000  1.0
  H  H1  8  0.2239  0.3170  0.7549  1.0
  Pd  Pd2  4  0.0000  0.1631  0.5000  1.0
  Pd  Pd3  4  0.0000  0.3306  0.0000  1.0
  H  H4  4  0.2466  0.5000  0.2898  1.0
  Pd  Pd5  2  0.0000  0.5000  0.5000  1.0
]