data_[Li12Al4Cd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.2478]
_cell_length_b [9.6227]
_cell_length_c [6.2566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li3AlCd3]
_chemical_formula_sum '[Li12 Al4 Cd12]'
_cell_volume [556.7671]
_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
[
  Li  Li0  4  0.0000  0.2547  0.5000  1
  Li  Li1  4  0.2029  0.5000  0.0000  1
  Li  Li2  4  0.2281  0.5000  0.5000  1
  Al  Al3  4  0.0000  0.2635  0.0000  1
  Cd  Cd4  8  0.2500  0.2500  0.2534  1
  Cd  Cd5  4  0.0000  0.0000  0.2462  1
]