data_[Li10Al2]
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 [4.7719]
_cell_length_b [2.9119]
_cell_length_c [15.3030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Li5Al]
_chemical_formula_sum '[Li10 Al2]'
_cell_volume [212.6382]
_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  2  0.0000  0.0000  0.3403  1.0
  Li  Li1  2  0.0000  0.0000  0.6607  1.0
  Li  Li2  2  0.5000  0.0000  0.2221  1.0
  Li  Li3  2  0.5000  0.0000  0.5503  1.0
  Li  Li4  2  0.5000  0.0000  0.8925  1.0
  Al  Al5  2  0.0000  0.0000  0.0007  1.0
]