data_[Cu12Pd9]
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 [R-3m]
_cell_length_a [4.2868]
_cell_length_b [4.2868]
_cell_length_c [18.1449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cu4Pd3]
_chemical_formula_sum '[Cu12 Pd9]'
_cell_volume [288.7707]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1404  1
  Cu  Cu1  6  0.0000  0.0000  0.4311  1
  Pd  Pd2  6  0.0000  0.0000  0.2793  1
  Pd  Pd3  3  0.0000  0.0000  0.0000  1
]