data_[Sc16Ag2Pd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.2781]
_cell_length_b [8.2781]
_cell_length_c [8.2628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Sc8AgPd5]
_chemical_formula_sum '[Sc16 Ag2 Pd10]'
_cell_volume [566.2217]
_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  8  0.0643  0.8237  0.2088  1
  Sc  Sc1  8  0.0698  0.6847  0.5800  1
  Ag  Ag2  2  0.0000  0.5000  0.2500  1
  Pd  Pd3  8  0.1217  0.7574  0.8975  1
  Pd  Pd4  2  0.0000  0.0000  0.5000  1
]