data_[Li6Al6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7846]
_cell_length_b [2.9138]
_cell_length_c [6.4067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiAl]
_chemical_formula_sum '[Li6 Al6]'
_cell_volume [196.0229]
_cell_formula_units_Z [6]
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  2  0.0561  0.0000  0.6111  1.0
  Li  Li1  2  0.1675  0.5000  0.3269  1.0
  Li  Li2  2  0.2222  0.5000  0.9484  1.0
  Al  Al3  2  0.3343  0.0000  0.6692  1.0
  Al  Al4  2  0.3900  0.0000  0.2782  1.0
  Al  Al5  2  0.4966  0.5000  0.9996  1.0
]