data_[Cu8H8Pd24]
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/c]
_cell_length_a [9.2157]
_cell_length_b [11.0008]
_cell_length_c [4.8231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuHPd3]
_chemical_formula_sum '[Cu8 H8 Pd24]'
_cell_volume [488.7341]
_cell_formula_units_Z [8]
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  8  0.1216  0.4394  0.5820  1.0
  Pd  Pd1  8  0.1225  0.3249  0.0795  1.0
  Pd  Pd2  8  0.1281  0.1932  0.5846  1.0
  Pd  Pd3  8  0.1338  0.0628  0.0894  1.0
  H  H4  4  0.0000  0.0738  0.7500  1.0
  H  H5  4  0.0000  0.2071  0.2500  1.0
]