data_[Li12Al2Cd10]
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 [C2/m]
_cell_length_a [14.4180]
_cell_length_b [6.6829]
_cell_length_c [4.6413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6AlCd5]
_chemical_formula_sum '[Li12 Al2 Cd10]'
_cell_volume [427.3113]
_cell_formula_units_Z [2]
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  0.1658  0.2480  0.1657  1
  Li  Li1  4  0.0000  0.2461  0.5000  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Cd  Cd3  4  0.1635  0.0000  0.6646  1
  Cd  Cd4  4  0.1669  0.5000  0.6658  1
  Cd  Cd5  2  0.0000  0.5000  0.0000  1
]