data_[Sc16Ag4Pd2]
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 [C2/m]
_cell_length_a [16.1421]
_cell_length_b [4.8692]
_cell_length_c [6.5066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Ag2Pd]
_chemical_formula_sum '[Sc16 Ag4 Pd2]'
_cell_volume [482.7811]
_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  0.0253  0.0000  0.7806  1
  Sc  Sc1  4  0.0942  0.5000  0.4430  1
  Sc  Sc2  4  0.1633  0.5000  0.9605  1
  Sc  Sc3  4  0.1945  0.0000  0.2923  1
  Ag  Ag4  4  0.1828  0.0000  0.7014  1
  Pd  Pd5  2  0.0000  0.5000  0.0000  1
]