data_LaAlAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   144.64
_cell_angle_beta   144.64
_cell_angle_gamma   50.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAlAs
_chemical_formula_sum   'La1 Al1 As1'
_cell_volume   69.99
_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  0.18  1.0
  Al  Al0  1  0.0  0.0  0.34  1.0
  As  As1  1  0.0  0.0  0.95  1.0

data_LaAlAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   115.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAlAs
_chemical_formula_sum   'La2 Al2 As2'
_cell_volume   139.98
_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  0.18  0.0  0.18  1.0
  Al  Al1  2  0.34  0.0  0.34  1.0
  As  As2  2  0.45  0.5  0.95  1.0

La Al As
La Al As 0 1 o o o 0 2 o o - 
LaAlAs is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaAlAs clusters. La(1) is bonded in a linear geometry to one Al(1) and one As(1) atom. The La(1)-Al(1) bond length is 0.93 Å. The La(1)-As(1) bond length is 1.37 Å. Al(1) is bonded in a single-bond geometry to one La(1) atom. As(1) is bonded in a single-bond geometry to one La(1) atom.