data_[Cd2Pd4Pt16]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8644]
_cell_length_b [5.3725]
_cell_length_c [5.6057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd(PdPt4)2]
_chemical_formula_sum '[Cd2 Pd4 Pt16]'
_cell_volume [373.7118]
_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  0.0000  0.0000  1
  Pd  Pd1  4  0.2248  0.0000  0.4356  1
  Pt  Pt2  8  0.0949  0.2499  0.6680  1
  Pt  Pt3  4  0.0726  0.5000  0.2138  1
  Pt  Pt4  4  0.2432  0.5000  0.0279  1
]