data_LaAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   150.82
_cell_angle_beta   63.13
_cell_angle_gamma   125.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl3
_chemical_formula_sum   'La1 Al3'
_cell_volume   89.32
_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  La3  1  0.54  0.0  0.03  1.0
  Al  Al0  1  0.0  0.83  0.64  1.0
  Al  Al1  1  0.54  0.37  0.84  1.0
  Al  Al2  1  0.0  0.0  0.82  1.0

data_LaAl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.6
_cell_length_c   6.1
_cell_angle_alpha   117.32
_cell_angle_beta   104.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl3
_chemical_formula_sum   'La1 Al3'
_cell_volume   89.32
_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  0.03  0.03  0.57  1.0
  Al  Al1  1  0.64  0.81  0.81  1.0
  Al  Al2  1  0.82  0.82  0.82  1.0
  Al  Al3  1  0.84  0.47  0.01  1.0

La Al Al Al
LaAl3 crystallizes in the triclinic P1 space group. La(1) is bonded in a 5-coordinate geometry to one Al(1), one Al(3), and three equivalent Al(2) atoms. The La(1)-Al(1) bond length is 2.74 Å. The La(1)-Al(3) bond length is 2.52 Å. There are a spread of La(1)-Al(2) bond distances ranging from 2.88-3.32 Å. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted single-bond geometry to one La(1), one Al(2), and one Al(3) atom. The Al(1)-Al(2) bond length is 2.67 Å. The Al(1)-Al(3) bond length is 0.54 Å. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to three equivalent La(1), one Al(1), one Al(3), and two equivalent Al(2) atoms. The Al(2)-Al(3) bond length is 2.67 Å. Both Al(2)-Al(2) bond lengths are 3.07 Å. In the third Al site, Al(3) is bonded in a 1-coordinate geometry to one La(1), one Al(1), and one Al(2) atom.