data_[Li16Mg2Al4]
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 [C2/m]
_cell_length_a [14.1242]
_cell_length_b [5.3444]
_cell_length_c [5.2827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8103]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8MgAl2]
_chemical_formula_sum '[Li16 Mg2 Al4]'
_cell_volume [392.9411]
_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  0.1731  0.2676  0.0849  1.0
  Li  Li1  4  0.0044  0.5000  0.7363  1.0
  Li  Li2  4  0.1181  0.0000  0.5589  1.0
  Mg  Mg3  2  0.0000  0.0000  0.0000  1.0
  Al  Al4  4  0.1961  0.5000  0.5708  1.0
]