data_[Sc6Ag16]
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 [C2/m]
_cell_length_a [9.4723]
_cell_length_b [4.0605]
_cell_length_c [11.0602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5349]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3Ag8]
_chemical_formula_sum '[Sc6 Ag16]'
_cell_volume [411.7865]
_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  0.1027  0.0000  0.6430  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0514  0.5000  0.8223  1
  Ag  Ag3  4  0.1325  0.5000  0.4560  1
  Ag  Ag4  4  0.1707  0.0000  0.2715  1
  Ag  Ag5  4  0.2247  0.5000  0.0914  1
]