data_[Sc12Cd3Pd3Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [R-3m]
_cell_length_a [4.7481]
_cell_length_b [4.7481]
_cell_length_c [23.2725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sc4CdPdPt2]
_chemical_formula_sum '[Sc12 Cd3 Pd3 Pt6]'
_cell_volume [454.3761]
_cell_formula_units_Z [3]
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
[
  Sc  Sc0  6  0.0000  0.0000  0.1293  1.0
  Sc  Sc1  6  0.0000  0.0000  0.3800  1.0
  Cd  Cd2  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  3  -0.0000  -0.0000  0.5000  1.0
  Pt  Pt4  6  0.0000  0.0000  0.2527  1.0
]