data_[Li9Mg2Al1]
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 [P6/mmm]
_cell_length_a [9.6158]
_cell_length_b [9.6158]
_cell_length_c [2.8581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Li9Mg2Al]
_chemical_formula_sum '[Li9 Mg2 Al1]'
_cell_volume [228.8596]
_cell_formula_units_Z [1]
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  6  0.1609  0.3218  0.5000  1
  Li  Li1  3  0.0000  0.5000  0.0000  1
  Mg  Mg2  2  0.3333  0.6667  0.0000  1
  Al  Al3  1  0.0000  0.0000  0.0000  1
]