data_[Cu12Ag8Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [4.8200]
_cell_length_b [8.7389]
_cell_length_c [12.9031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Cu3(AgPd2)2]
_chemical_formula_sum '[Cu12 Ag8 Pd16]'
_cell_volume [543.4949]
_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  0.2500  0.2500  0.0000  1.0
  Cu  Cu1  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  8  0.0000  0.0000  0.3783  1.0
  Pd  Pd3  16  0.0000  0.1578  0.1704  1.0
]