data_[Sc8Ag8]
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 [Pnma]
_cell_length_a [11.5800]
_cell_length_b [4.8128]
_cell_length_c [5.9041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ScAg]
_chemical_formula_sum '[Sc8 Ag8]'
_cell_volume [329.0423]
_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  4  0.0502  0.2500  0.3190  1.0
  Sc  Sc1  4  0.1844  0.7500  0.0499  1.0
  Ag  Ag2  4  0.0873  0.2500  0.8164  1.0
  Ag  Ag3  4  0.1834  0.7500  0.5528  1.0
]