data_[Cd4Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6438]
_cell_length_b [4.2090]
_cell_length_c [5.6621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdPd2]
_chemical_formula_sum '[Cd4 Pd8]'
_cell_volume [201.0570]
_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
[
  Cd  Cd0  4  0.1596  0.0000  0.8185  1
  Pd  Pd1  4  0.1700  0.0000  0.3287  1
  Pd  Pd2  2  0.0000  0.5000  0.0000  1
  Pd  Pd3  2  0.0000  0.5000  0.5000  1
]