data_Ba2LaAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42
_cell_length_b   7.42
_cell_length_c   7.42
_cell_angle_alpha   146.66
_cell_angle_beta   134.91
_cell_angle_gamma   57.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LaAl
_chemical_formula_sum   'Ba2 La1 Al1'
_cell_volume   157.49
_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
  Ba  Ba1  1  0.0  0.84  0.82  1.0
  Ba  Ba2  1  0.13  0.0  0.69  1.0
  La  La3  1  0.0  0.0  0.51  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_Ba2LaAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   5.69
_cell_length_c   7.42
_cell_angle_alpha   112.54
_cell_angle_beta   106.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LaAl
_chemical_formula_sum   'Ba2 La1 Al1'
_cell_volume   157.49
_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
  Ba  Ba0  1  0.0  0.69  0.56  1.0
  Ba  Ba1  1  0.16  0.98  0.98  1.0
  La  La2  1  0.0  0.51  0.51  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

Ba Ba La Al
Ba Ba La Al 0 3 o + + 1 2 o o o 
BaLaBaAl crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaAl cluster and one BaLa cluster. In the BaAl cluster, Ba(1) is bonded in a single-bond geometry to one Al(1) atom. The Ba(1)-Al(1) bond length is 0.74 Å. Al(1) is bonded in a single-bond geometry to one Ba(1) atom. In the BaLa cluster, Ba(2) is bonded in a single-bond geometry to one La(1) atom. The Ba(2)-La(1) bond length is 0.95 Å. La(1) is bonded in a single-bond geometry to one Ba(2) atom.