data_Li2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   128.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Al
_chemical_formula_sum   'Li4 Al2'
_cell_volume   98.25
_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  1  0.3  0.49  0.33  1.0
  Li  Li1  1  0.3  0.51  0.11  1.0
  Li  Li2  1  0.3  0.13  0.33  1.0
  Li  Li3  1  0.3  0.87  0.11  1.0
  Al  Al4  1  0.3  0.93  0.33  1.0
  Al  Al5  1  0.3  0.07  0.11  1.0

data_Li2Al
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.44
_cell_length_b   4.6
_cell_length_c   5.33
_cell_angle_alpha   115.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Li2Al
_chemical_formula_sum   'Li4 Al2'
_cell_volume   98.25
_cell_formula_units_Z   2
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  0.11  0.51  0.51  1.0
  Li  Li1  2  0.11  0.87  0.87  1.0
  Al  Al2  2  0.11  0.07  0.07  1.0

Li Li Li Li Al Al