data_[Sc6Cd8Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1078]
_cell_length_b [4.8485]
_cell_length_c [29.9792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sc3(CdAg)4]
_chemical_formula_sum '[Sc6 Cd8 Ag8]'
_cell_volume [451.7347]
_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  0.0000  0.5000  0.3611  1
  Sc  Sc1  2  0.0000  0.0000  0.5000  1
  Cd  Cd2  4  0.0000  0.0000  0.0473  1
  Cd  Cd3  4  0.0000  0.5000  0.1838  1
  Ag  Ag4  4  0.0000  0.0000  0.2310  1
  Ag  Ag5  4  0.0000  0.5000  0.0918  1
]