data_[Cd2Cu6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0995]
_cell_length_b [4.1386]
_cell_length_c [8.9588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2321]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd(CuPd2)3]
_chemical_formula_sum '[Cd2 Cu6 Pd12]'
_cell_volume [297.9158]
_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
[
  Cd  Cd0  2  0.0577  0.2500  0.3963  1
  Cu  Cu1  2  0.2539  0.2500  0.0181  1
  Cu  Cu2  2  0.3480  0.7500  0.8152  1
  Cu  Cu3  2  0.4503  0.2500  0.6038  1
  Pd  Pd4  2  0.0565  0.7500  0.9096  1
  Pd  Pd5  2  0.1608  0.7500  0.2069  1
  Pd  Pd6  2  0.1678  0.2500  0.7200  1
  Pd  Pd7  2  0.2718  0.7500  0.5187  1
  Pd  Pd8  2  0.3761  0.2500  0.3076  1
  Pd  Pd9  2  0.4641  0.7500  0.1019  1
]