data_La2AlAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39
_cell_length_b   8.39
_cell_length_c   8.39
_cell_angle_alpha   29.16
_cell_angle_beta   29.16
_cell_angle_gamma   29.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2AlAs
_chemical_formula_sum   'La2 Al1 As1'
_cell_volume   123.99
_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  La2  1  0.0  0.0  0.81  1.0
  La  La3  1  0.0  0.0  0.27  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.0  0.04  1.0

data_La2AlAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.32
_cell_length_b   4.22
_cell_length_c   8.39
_cell_angle_alpha   90.0
_cell_angle_beta   106.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2AlAs
_chemical_formula_sum   'La4 Al2 As2'
_cell_volume   247.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.19  1.0
  La  La1  2  0.0  0.0  0.73  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  As  As3  2  0.0  0.0  0.96  1.0

La La Al As
La2AlAs is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two La2AlAs clusters. There are two inequivalent La sites. In the first La site, La(1) is bonded in a single-bond geometry to one Al(1) atom. The La(1)-Al(1) bond length is 1.63 Å. In the second La site, La(2) is bonded in a single-bond geometry to one As(1) atom. The La(2)-As(1) bond length is 1.96 Å. Al(1) is bonded in a linear geometry to one La(1) and one As(1) atom. The Al(1)-As(1) bond length is 0.33 Å. As(1) is bonded in a linear geometry to one La(2) and one Al(1) atom.