data_[Sc4Cd12Ag24]
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 [Cmc2_1]
_cell_length_a [7.2475]
_cell_length_b [14.4721]
_cell_length_c [7.6547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sc(CdAg2)3]
_chemical_formula_sum '[Sc4 Cd12 Ag24]'
_cell_volume [802.8714]
_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  0.0000  0.2088  0.8422  1.0
  Cd  Cd1  8  0.2192  0.6296  0.5571  1.0
  Cd  Cd2  4  0.0000  0.4361  0.7236  1.0
  Ag  Ag3  8  0.1907  0.1835  0.1888  1.0
  Ag  Ag4  8  0.2283  0.5592  0.9120  1.0
  Ag  Ag5  4  0.0000  0.0046  0.1722  1.0
  Ag  Ag6  4  0.0000  0.2760  0.4606  1.0
]