data_LaAl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14
_cell_length_b   6.14
_cell_length_c   6.72
_cell_angle_alpha   103.72
_cell_angle_beta   103.72
_cell_angle_gamma   29.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl5
_chemical_formula_sum   'La1 Al5'
_cell_volume   121.72
_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
  La  La5  1  0.42  0.0  0.73  1.0
  Al  Al0  1  0.51  0.0  0.01  1.0
  Al  Al1  1  0.65  0.0  0.03  1.0
  Al  Al2  1  0.71  0.0  0.92  1.0
  Al  Al3  1  0.42  0.0  0.75  1.0
  Al  Al4  1  0.72  0.0  0.19  1.0

data_LaAl5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   6.14
_cell_length_c   6.72
_cell_angle_alpha   103.72
_cell_angle_beta   90.0
_cell_angle_gamma   104.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl5
_chemical_formula_sum   'La1 Al5'
_cell_volume   121.72
_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
  La  La0  1  0.0  0.58  0.27  1.0
  Al  Al1  1  0.0  0.28  0.81  1.0
  Al  Al2  1  0.0  0.29  0.08  1.0
  Al  Al3  1  0.0  0.35  0.97  1.0
  Al  Al4  1  0.0  0.49  0.99  1.0
  Al  Al5  1  0.0  0.58  0.25  1.0

La Al Al Al Al Al
LaAl5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one aluminium--lanthanum (1/1) molecule and one Al cluster. In the Al cluster, there are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a single-bond geometry to one Al(2) atom. The Al(1)-Al(2) bond length is 0.87 Å. In the second Al site, Al(2) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(3), and one Al(5) atom. The Al(2)-Al(3) bond length is 0.88 Å. The Al(2)-Al(5) bond length is 1.08 Å. In the third Al site, Al(3) is bonded in a distorted single-bond geometry to one Al(2) atom. In the fourth Al site, Al(5) is bonded in a single-bond geometry to one Al(2) atom.