data_[Cd8Ag12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4125]
_cell_length_b [4.0905]
_cell_length_c [9.6295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2Ag3Pd]
_chemical_formula_sum '[Cd8 Ag12 Pd4]'
_cell_volume [441.0767]
_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  0.0313  0.5000  0.8703  1.0
  Cd  Cd1  4  0.2089  0.0000  0.8667  1.0
  Ag  Ag2  4  0.0442  0.0000  0.3758  1.0
  Ag  Ag3  4  0.1244  0.5000  0.6202  1.0
  Ag  Ag4  4  0.2099  0.5000  0.3768  1.0
  Pd  Pd5  4  0.1272  0.0000  0.1180  1.0
]