data_[Sc4Cd2Pd16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4635]
_cell_length_b [4.0994]
_cell_length_c [6.4710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2CdPd8]
_chemical_formula_sum '[Sc4 Cd2 Pd16]'
_cell_volume [366.8331]
_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
[
  Sc  Sc0  4  0.2186  0.0000  0.6646  1.0
  Cd  Cd1  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd2  4  0.0409  0.0000  0.7216  1.0
  Pd  Pd3  4  0.0962  0.5000  0.4575  1.0
  Pd  Pd4  4  0.1462  0.0000  0.1980  1.0
  Pd  Pd5  4  0.1777  0.5000  0.9093  1.0
]