data_[Cu8Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1676]
_cell_length_b [4.7060]
_cell_length_c [7.0665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2Pd5]
_chemical_formula_sum '[Cu8 Pd20]'
_cell_volume [403.8571]
_cell_formula_units_Z [4]
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  0.0706  0.3277  0.1079  1.0
  Pd  Pd1  8  0.1371  0.1761  0.4634  1.0
  Pd  Pd2  8  0.2150  0.3314  0.8216  1.0
  Pd  Pd3  4  0.0000  0.1793  0.7500  1.0
]