data_[Mg64Al32Cd16]
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 [Fd-3m]
_cell_length_a [13.6597]
_cell_length_b [13.6597]
_cell_length_c [13.6597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Mg4Al2Cd]
_chemical_formula_sum '[Mg64 Al32 Cd16]'
_cell_volume [2548.7009]
_cell_formula_units_Z [16]
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  48  0.0000  0.0000  0.2341  1
  Mg  Mg1  16  0.1250  0.1250  0.6250  1
  Al  Al2  32  0.0786  0.4214  0.0786  1
  Cd  Cd3  16  0.1250  0.1250  0.1250  1
]