data_[Sc4Cd6Pd8]
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 [7.7975]
_cell_length_b [4.7778]
_cell_length_c [8.8251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Cd3Pd4]
_chemical_formula_sum '[Sc4 Cd6 Pd8]'
_cell_volume [327.6970]
_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  0.1633  0.5000  0.7893  1.0
  Cd  Cd1  4  0.1738  0.5000  0.4321  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0068  0.0000  0.3270  1.0
  Pd  Pd4  4  0.1666  0.5000  0.1105  1.0
]