data_Li3Al5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   96.03
_cell_angle_beta   96.03
_cell_angle_gamma   142.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Al5
_chemical_formula_sum   'Li6 Al10'
_cell_volume   265.87
_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  Li10  1  0.0  0.0  0.75  1.0
  Li  Li11  1  0.0  0.0  0.25  1.0
  Li  Li12  1  0.88  0.27  0.0  1.0
  Li  Li13  1  0.27  0.88  0.5  1.0
  Li  Li14  1  0.04  0.88  0.0  1.0
  Li  Li15  1  0.12  0.27  0.5  1.0
  Al  Al0  1  0.16  0.0  0.25  1.0
  Al  Al1  1  0.0  0.16  0.25  1.0
  Al  Al2  1  0.68  0.79  0.0  1.0
  Al  Al3  1  0.48  0.37  0.5  1.0
  Al  Al4  1  0.68  0.52  0.5  1.0
  Al  Al5  1  0.48  0.63  0.0  1.0
  Al  Al6  1  0.63  0.84  0.0  1.0
  Al  Al7  1  0.52  0.32  0.5  1.0
  Al  Al8  1  0.52  0.68  0.0  1.0
  Al  Al9  1  0.63  0.48  0.5  1.0

data_Li3Al5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.0
_cell_length_b   7.71
_cell_length_c   7.71
_cell_angle_alpha   83.97
_cell_angle_beta   71.08
_cell_angle_gamma   71.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Al5
_chemical_formula_sum   'Li6 Al10'
_cell_volume   265.87
_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  0.0  0.0  0.25  1.0
  Li  Li1  1  0.0  0.0  0.75  1.0
  Li  Li2  1  0.27  0.61  -0.0  1.0
  Li  Li3  1  0.27  0.84  0.5  1.0
  Li  Li4  1  0.88  0.16  -0.0  1.0
  Li  Li5  1  0.88  0.39  0.5  1.0
  Al  Al6  1  0.0  0.16  0.75  1.0
  Al  Al7  1  0.16  0.84  0.75  1.0
  Al  Al8  1  0.32  0.2  0.5  1.0
  Al  Al9  1  0.37  0.11  0.5  1.0
  Al  Al10  1  0.48  0.16  0.5  1.0
  Al  Al11  1  0.52  0.16  0.5  1.0
  Al  Al12  1  0.63  0.84  0.0  1.0
  Al  Al13  1  0.68  0.84  -0.0  1.0
  Al  Al14  1  0.79  0.89  -0.0  1.0
  Al  Al15  1  0.84  0.8  -0.0  1.0

Li Li Li Li Li Li Al Al Al Al Al Al Al Al Al Al
Li Li Li Li Li Li Al Al Al Al Al Al Al Al Al Al 0 9 - - o 0 8 - - + 0 12 - - + 0 5 o o o 0 11 o o + 0 15 - - o 0 10 - - o 0 4 o - + 1 7 o o o 1 6 o o o 1 4 o - o 1 5 o o o 2 7 + o o 2 8 o - o 2 12 o - o 3 13 o + o 3 9 o + o 3 6 o + o 4 8 - o o 4 6 o + o 5 7 o o o 5 9 o o o 8 14 o o o 8 12 o o o 9 13 o o o 9 15 o o o 10 15 o o o 11 14 o o o 12 14 o o o 13 15 o o o 