data_[Li8Mg20Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.4234]
_cell_length_b [7.4234]
_cell_length_c [12.0390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Li2Mg5Al]
_chemical_formula_sum '[Li8 Mg20 Al4]'
_cell_volume [663.4309]
_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  0.1368  0.6368  0.5000  1
  Mg  Mg1  16  0.1541  0.3459  0.6571  1
  Mg  Mg2  4  0.0000  0.0000  0.0000  1
  Al  Al3  4  0.0000  0.0000  0.2500  1
]