data_Li2LaAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   5.09
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   93.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaAl
_chemical_formula_sum   'Li2 La1 Al1'
_cell_volume   93.49
_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  Li2  1  0.37  0.55  0.7  1.0
  Li  Li3  1  0.36  0.55  0.2  1.0
  La  La1  1  0.37  0.0  0.95  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_Li2LaAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.09
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   93.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaAl
_chemical_formula_sum   'Li2 La1 Al1'
_cell_volume   93.49
_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  0.36  0.55  0.2  1.0
  Li  Li1  1  0.37  0.55  0.7  1.0
  La  La2  1  0.37  0.0  0.95  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

Li Li La Al
Li2LaAl crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and two equivalent La(1) atoms. Both Li(1)-Li(1) bond lengths are 3.11 Å. There is one shorter (2.95 Å) and one longer (2.97 Å) Li(1)-Li(2) bond length. There is one shorter (2.75 Å) and one longer (3.15 Å) Li(1)-La(1) bond length. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent La(1), and two equivalent Al(1) atoms. Both Li(2)-Li(2) bond lengths are 3.11 Å. There is one shorter (2.75 Å) and one longer (3.15 Å) Li(2)-La(1) bond length. There is one shorter (2.80 Å) and one longer (3.20 Å) Li(2)-Al(1) bond length. La(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Li(1), two equivalent Li(2), and two equivalent Al(1) atoms. There is one shorter (1.20 Å) and one longer (1.97 Å) La(1)-Al(1) bond length. Al(1) is bonded in a 2-coordinate geometry to two equivalent Li(2) and two equivalent La(1) atoms.