data_[Cd6Cu2Pd12]
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 [7.6334]
_cell_length_b [4.6163]
_cell_length_c [9.9145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cd3CuPd6]
_chemical_formula_sum '[Cd6 Cu2 Pd12]'
_cell_volume [329.0661]
_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  0.2226  0.2500  0.0125  1
  Cd  Cd1  2  0.3599  0.7500  0.7781  1
  Cd  Cd2  2  0.4515  0.2500  0.6136  1
  Cu  Cu3  2  0.0404  0.2500  0.4211  1
  Pd  Pd4  2  0.0575  0.7500  0.8632  1
  Pd  Pd5  2  0.1341  0.2500  0.7037  1
  Pd  Pd6  2  0.1577  0.7500  0.1778  1
  Pd  Pd7  2  0.2388  0.7500  0.4794  1
  Pd  Pd8  2  0.3253  0.2500  0.3187  1
  Pd  Pd9  2  0.4603  0.7500  0.0793  1
]