data_[Cd12Si4Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3871]
_cell_length_b [7.6913]
_cell_length_c [7.0312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3SiPd3]
_chemical_formula_sum '[Cd12 Si4 Pd12]'
_cell_volume [507.2906]
_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  0.0000  0.2864  0.5000  1.0
  Cd  Cd1  4  0.0000  0.3157  0.0000  1.0
  Cd  Cd2  4  0.2311  0.0000  0.5256  1.0
  Si  Si3  4  0.2126  0.0000  0.9643  1.0
  Pd  Pd4  8  0.2387  0.2804  0.7904  1.0
  Pd  Pd5  4  0.0068  0.0000  0.2180  1.0
]