data_[Sc4Cd8Ag12]
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 [8.0673]
_cell_length_b [10.7449]
_cell_length_c [5.8005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [ScCd2Ag3]
_chemical_formula_sum '[Sc4 Cd8 Ag12]'
_cell_volume [502.7997]
_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  0.0956  0.1858  1
  Cd  Cd1  8  0.1789  0.3962  0.4115  1
  Ag  Ag2  8  0.1797  0.3454  0.9344  1
  Ag  Ag3  4  0.0000  0.1733  0.6644  1
]