data_[Cd2Sn4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5350]
_cell_length_b [4.1500]
_cell_length_c [6.5225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd(SnPd4)2]
_chemical_formula_sum '[Cd2 Sn4 Pd16]'
_cell_volume [371.9268]
_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  0.0000  0.5000  0.0000  1.0
  Sn  Sn1  4  0.2130  0.0000  0.6662  1.0
  Pd  Pd2  4  0.0369  0.0000  0.7291  1.0
  Pd  Pd3  4  0.0939  0.5000  0.4626  1.0
  Pd  Pd4  4  0.1502  0.0000  0.2151  1.0
  Pd  Pd5  4  0.1756  0.5000  0.9191  1.0
]