data_LiLaAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   6.06
_cell_angle_alpha   111.07
_cell_angle_beta   111.07
_cell_angle_gamma   59.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaAl2
_chemical_formula_sum   'Li1 La1 Al2'
_cell_volume   93.77
_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
  La  La2  1  0.62  0.0  0.76  1.0
  Al  Al0  1  0.07  0.0  0.9  1.0
  Al  Al1  1  0.17  0.0  0.62  1.0

data_LiLaAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.45
_cell_length_c   6.06
_cell_angle_alpha   111.07
_cell_angle_beta   90.0
_cell_angle_gamma   119.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaAl2
_chemical_formula_sum   'Li1 La1 Al2'
_cell_volume   93.77
_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
  La  La1  1  0.0  0.38  0.24  1.0
  Al  Al2  1  0.0  0.83  0.38  1.0
  Al  Al3  1  0.0  0.93  0.1  1.0

Li La Al Al