data_Li2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   4.5
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Al
_chemical_formula_sum   'Li8 Al4'
_cell_volume   202.68
_cell_formula_units_Z   4
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  Li4  1  0.68  0.12  0.63  1.0
  Li  Li5  1  0.41  0.37  0.81  1.0
  Li  Li6  1  0.98  0.12  0.55  1.0
  Li  Li7  1  0.71  0.37  0.73  1.0
  Li  Li8  1  0.36  0.12  0.31  1.0
  Li  Li9  1  0.73  0.37  0.13  1.0
  Li  Li10  1  0.67  0.12  0.22  1.0
  Li  Li11  1  0.03  0.37  0.05  1.0
  Al  Al0  1  0.67  0.12  0.14  1.0
  Al  Al1  1  0.03  0.37  0.96  1.0
  Al  Al2  1  0.36  0.12  0.4  1.0
  Al  Al3  1  0.73  0.37  0.22  1.0

data_Li2Al
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.5
_cell_length_b   5.39
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li2Al
_chemical_formula_sum   'Li8 Al4'
_cell_volume   202.68
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.38  0.29  0.87  1.0
  Li  Li1  2  0.38  0.67  0.63  1.0
  Li  Li2  2  0.38  0.97  0.55  1.0
  Li  Li3  2  0.38  0.98  0.95  1.0
  Al  Al4  2  0.38  0.67  0.72  1.0
  Al  Al5  2  0.38  0.97  0.46  1.0

Li Li Li Li Li Li Li Li Al Al Al Al
Li Li Li Li Li Li Li Li Al Al Al Al 0 3 o o o 0 2 o o o 1 3 o o o 4 10 o o o 5 11 o o o 6 8 o o o 7 9 o o - 