data_LiAl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   7.54
_cell_length_c   7.54
_cell_angle_alpha   22.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl5
_chemical_formula_sum   'Li1 Al5'
_cell_volume   99.19
_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  Li5  1  0.0  0.0  0.14  1.0
  Al  Al0  1  0.3  0.0  0.78  1.0
  Al  Al1  1  0.3  0.0  0.87  1.0
  Al  Al2  1  0.3  0.0  0.93  1.0
  Al  Al3  1  0.0  0.0  0.23  1.0
  Al  Al4  1  0.0  0.0  0.3  1.0

data_LiAl5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.61
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   101.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl5
_chemical_formula_sum   'Li1 Al5'
_cell_volume   99.19
_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  0.86  0.0  0.86  1.0
  Al  Al1  1  0.07  0.3  0.07  1.0
  Al  Al2  1  0.13  0.3  0.13  1.0
  Al  Al3  1  0.22  0.3  0.22  1.0
  Al  Al4  1  0.7  0.0  0.7  1.0
  Al  Al5  1  0.77  0.0  0.77  1.0

Li Al Al Al Al Al