data_[Li24Al4Cd12]
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 [Cmc2_1]
_cell_length_a [10.2465]
_cell_length_b [13.9003]
_cell_length_c [5.2050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li6AlCd3]
_chemical_formula_sum '[Li24 Al4 Cd12]'
_cell_volume [741.3455]
_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  8  0.1229  0.4486  0.4569  1
  Li  Li1  8  0.2351  0.2059  0.0923  1
  Li  Li2  4  0.0000  0.0430  0.2239  1
  Li  Li3  4  0.0000  0.2487  0.3539  1
  Al  Al4  4  0.0000  0.1687  0.8162  1
  Cd  Cd5  8  0.2085  0.0937  0.5529  1
  Cd  Cd6  4  0.0000  0.3645  0.9166  1
]