data_[Cu2H4Pd12]
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 [9.7617]
_cell_length_b [4.0353]
_cell_length_c [7.7571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.7913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(HPd3)2]
_chemical_formula_sum '[Cu2 H4 Pd12]'
_cell_volume [238.1677]
_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  0.5000  0.5000  1
  H  H1  4  0.0061  0.0000  0.8211  1
  Pd  Pd2  4  0.0214  0.5000  0.8402  1
  Pd  Pd3  4  0.1507  0.0000  0.4924  1
  Pd  Pd4  4  0.1856  0.0000  0.1476  1
]