data_[Sc20Ag4S32]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.7640]
_cell_length_b [10.7640]
_cell_length_c [10.7640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Sc5AgS8]
_chemical_formula_sum '[Sc20 Ag4 S32]'
_cell_volume [1247.1724]
_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  16  0.1201  0.1201  0.3799  1
  Sc  Sc1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.2500  0.2500  0.7500  1
  S  S3  16  0.1152  0.1152  0.6152  1
  S  S4  16  0.1328  0.1328  0.1328  1
]