data_[Sc8Al12Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.4496]
_cell_length_b [14.7617]
_cell_length_c [7.5593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Sc2Al3Pd4]
_chemical_formula_sum '[Sc8 Al12 Pd16]'
_cell_volume [608.1122]
_cell_formula_units_Z [4]
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  8  0.0000  0.1054  0.5886  1.0
  Al  Al1  8  0.2500  0.2321  0.2500  1.0
  Al  Al2  4  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0000  0.1809  0.9779  1.0
  Pd  Pd4  8  0.2500  0.0604  0.2500  1.0
]