data_[Sc2Cd12Ag6]
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 [P2_1/m]
_cell_length_a [11.3245]
_cell_length_b [3.1610]
_cell_length_c [12.0624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc(Cd2Ag)3]
_chemical_formula_sum '[Sc2 Cd12 Ag6]'
_cell_volume [422.8623]
_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  2  0.0388  0.7500  0.7216  1.0
  Cd  Cd1  2  0.1290  0.7500  0.4811  1.0
  Cd  Cd2  2  0.1888  0.2500  0.9264  1.0
  Cd  Cd3  2  0.2262  0.2500  0.2794  1.0
  Cd  Cd4  2  0.2671  0.2500  0.6994  1.0
  Cd  Cd5  2  0.3518  0.7500  0.1143  1.0
  Cd  Cd6  2  0.4976  0.2500  0.3117  1.0
  Ag  Ag7  2  0.0719  0.7500  0.0982  1.0
  Ag  Ag8  2  0.3777  0.2500  0.4985  1.0
  Ag  Ag9  2  0.4210  0.7500  0.9011  1.0
]