data_[Mg12Al2Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0243]
_cell_length_b [6.3654]
_cell_length_c [10.8268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mg6AlCd]
_chemical_formula_sum '[Mg12 Al2 Cd2]'
_cell_volume [346.2607]
_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
[
  Mg  Mg0  4  0.0000  0.2465  0.0848  1.0
  Mg  Mg1  4  0.5000  0.2497  0.4163  1.0
  Mg  Mg2  2  0.0000  0.0000  0.3308  1.0
  Mg  Mg3  2  0.0000  0.0000  0.8331  1.0
  Al  Al4  2  0.5000  0.0000  0.1673  1.0
  Cd  Cd5  2  0.5000  0.0000  0.6668  1.0
]