data_[Al4Cd8Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5150]
_cell_length_b [13.7974]
_cell_length_c [7.1606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [AlCd2Ag3]
_chemical_formula_sum '[Al4 Cd8 Ag12]'
_cell_volume [446.0709]
_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
[
  Al  Al0  4  0.0000  0.3359  0.0000  1.0
  Cd  Cd1  4  0.0000  0.3337  0.5000  1.0
  Cd  Cd2  2  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag4  8  0.0000  0.1731  0.2288  1.0
  Ag  Ag5  4  0.0000  0.5000  0.2441  1.0
]