data_[Sc32Ag8]
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
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [10.7240]
_cell_length_b [14.9324]
_cell_length_c [5.6537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Sc4Ag]
_chemical_formula_sum '[Sc32 Ag8]'
_cell_volume [905.3522]
_cell_formula_units_Z [8]
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  16  0.0402  0.1997  0.2253  1
  Sc  Sc1  16  0.0475  0.0984  0.7196  1
  Ag  Ag2  8  0.0000  0.0000  0.2621  1
]