data_La2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Al
_chemical_formula_sum   'La4 Al2'
_cell_volume   181.84
_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
  La  La2  1  0.0  0.0  0.52  1.0
  La  La3  1  0.0  0.0  0.0  1.0
  La  La4  1  0.73  0.58  0.76  1.0
  La  La5  1  0.0  0.15  0.28  1.0
  Al  Al0  1  0.73  0.58  0.28  1.0
  Al  Al1  1  0.0  0.15  0.76  1.0

data_La2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Al
_chemical_formula_sum   'La4 Al2'
_cell_volume   181.84
_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
  La  La0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.0  0.52  1.0
  La  La2  1  0.0  0.15  0.28  1.0
  La  La3  1  0.73  0.58  0.76  1.0
  Al  Al4  1  0.0  0.15  0.76  1.0
  Al  Al5  1  0.73  0.58  0.28  1.0

La La La La Al Al
La La La La Al Al 0 3 o o o 0 5 o o o 0 2 - - o 0 4 - - o 1 5 o o - 1 3 o o o 1 2 - - - 1 4 - - o 2 5 + + o 3 4 - - o 
La2Al crystallizes in the triclinic P1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a distorted single-bond geometry to one La(3), one La(4), one Al(1), and one Al(2) atom. The La(1)-La(3) bond length is 2.64 Å. The La(1)-La(4) bond length is 1.89 Å. The La(1)-Al(1) bond length is 2.64 Å. The La(1)-Al(2) bond length is 1.89 Å. In the second La site, La(2) is bonded in a distorted single-bond geometry to one La(3), one La(4), one Al(1), and one Al(2) atom. The La(2)-La(3) bond length is 2.64 Å. The La(2)-La(4) bond length is 2.14 Å. The La(2)-Al(1) bond length is 2.83 Å. The La(2)-Al(2) bond length is 1.89 Å. In the third La site, La(3) is bonded in a 7-coordinate geometry to one La(1), one La(2), two equivalent Al(1), and three equivalent Al(2) atoms. There is one shorter (3.38 Å) and one longer (3.66 Å) La(3)-Al(1) bond length. There are a spread of La(3)-Al(2) bond distances ranging from 2.73-3.47 Å. In the fourth La site, La(4) is bonded to one La(1), one La(2), and three equivalent Al(1) atoms to form distorted corner-sharing LaLa2Al3 trigonal bipyramids. There are a spread of La(4)-Al(1) bond distances ranging from 2.73-3.47 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 7-coordinate geometry to one La(1), one La(2), two equivalent La(3), and three equivalent La(4) atoms. In the second Al site, Al(2) is bonded in a distorted bent 120 degrees geometry to one La(1), one La(2), and three equivalent La(3) atoms.