data_[Mg32Al26]
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
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [10.5233]
_cell_length_b [10.5233]
_cell_length_c [10.5233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [Mg16Al13]
_chemical_formula_sum '[Mg32 Al26]'
_cell_volume [1165.3587]
_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  24  0.0405  0.3568  0.3568  1
  Mg  Mg1  8  0.1715  0.8285  0.1715  1
  Al  Al2  24  0.0912  0.0912  0.2757  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
]