data_[Li26Al6]
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 [Amm2]
_cell_length_a [6.3209]
_cell_length_b [9.5222]
_cell_length_c [9.4569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li13Al3]
_chemical_formula_sum '[Li26 Al6]'
_cell_volume [569.2071]
_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  0.2421  0.2455  0.7496  1
  Li  Li1  4  0.0000  0.2403  0.0008  1
  Li  Li2  4  0.2406  0.0000  0.5065  1
  Li  Li3  4  0.5000  0.2393  0.9999  1
  Li  Li4  2  0.0000  0.0000  0.2375  1
  Li  Li5  2  0.5000  0.0000  0.2394  1
  Li  Li6  2  0.5000  0.0000  0.7585  1
  Al  Al7  4  0.2457  0.0000  0.9966  1
  Al  Al8  2  0.0000  0.0000  0.7585  1
]