data_[Sc4Cd12Ag4]
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 [C2/m]
_cell_length_a [14.4919]
_cell_length_b [4.8461]
_cell_length_c [6.3550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ScCd3Ag]
_chemical_formula_sum '[Sc4 Cd12 Ag4]'
_cell_volume [431.9828]
_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  0.1066  0.0000  0.9505  1.0
  Cd  Cd1  4  0.0970  0.0000  0.4325  1.0
  Cd  Cd2  4  0.1774  0.5000  0.7230  1.0
  Cd  Cd3  4  0.2078  0.5000  0.2326  1.0
  Ag  Ag4  4  0.0124  0.5000  0.2313  1.0
]