data_Li5Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Al3
_chemical_formula_sum   'Li5 Al3'
_cell_volume   127.4
_cell_formula_units_Z   1
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  Li3  1  0.0  0.0  0.0  1.0
  Li  Li4  1  0.68  0.18  0.0  1.0
  Li  Li5  1  0.68  0.82  0.0  1.0
  Li  Li6  1  0.57  0.0  0.17  1.0
  Li  Li7  1  0.16  0.0  0.17  1.0
  Al  Al0  1  0.37  0.0  0.0  1.0
  Al  Al1  1  0.37  0.96  0.17  1.0
  Al  Al2  1  0.37  0.04  0.17  1.0

data_Li5Al3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   104.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Al3
_chemical_formula_sum   'Li5 Al3'
_cell_volume   127.4
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.68  0.18  1.0
  Li  Li2  1  0.0  0.68  0.82  1.0
  Li  Li3  1  0.17  0.16  0.0  1.0
  Li  Li4  1  0.17  0.57  0.0  1.0
  Al  Al5  1  0.0  0.37  0.0  1.0
  Al  Al6  1  0.17  0.37  0.04  1.0
  Al  Al7  1  0.17  0.37  0.96  1.0

Li Li Li Li Li Al Al Al