data_[Sc12Ag20]
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 [Cm]
_cell_length_a [5.5213]
_cell_length_b [15.2276]
_cell_length_c [7.7662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc3Ag5]
_chemical_formula_sum '[Sc12 Ag20]'
_cell_volume [638.2729]
_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  4  0.0554  0.2777  0.0762  1
  Sc  Sc1  4  0.4774  0.1682  0.4771  1
  Sc  Sc2  2  0.1830  0.5000  0.1553  1
  Sc  Sc3  2  0.2504  0.0000  0.7630  1
  Ag  Ag4  4  0.1530  0.1948  0.7429  1
  Ag  Ag5  4  0.1854  0.0940  0.0801  1
  Ag  Ag6  4  0.2264  0.3956  0.8342  1
  Ag  Ag7  4  0.4367  0.3470  0.3618  1
  Ag  Ag8  2  0.2365  0.0000  0.3964  1
  Ag  Ag9  2  0.2581  0.5000  0.5338  1
]