data_Al2MoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   140.35
_cell_angle_beta   126.7
_cell_angle_gamma   68.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2MoAs
_chemical_formula_sum   'Al2 Mo1 As1'
_cell_volume   62.95
_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
  Al  Al0  1  0.0  0.0  0.03  1.0
  Al  Al1  1  0.7  0.0  0.09  1.0
  Mo  Mo3  1  0.0  0.24  0.02  1.0
  As  As2  1  0.0  0.0  0.13  1.0

data_Al2MoAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.49
_cell_length_c   5.0
_cell_angle_alpha   116.65
_cell_angle_beta   109.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2MoAs
_chemical_formula_sum   'Al2 Mo1 As1'
_cell_volume   62.95
_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
  Al  Al0  1  0.0  0.03  0.03  1.0
  Al  Al1  1  0.0  0.09  0.4  1.0
  Mo  Mo2  1  0.76  0.78  0.78  1.0
  As  As3  1  0.0  0.13  0.13  1.0

Al Al Mo As
MoAl2As is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MoAl2As cluster. Mo(1) is bonded in a single-bond geometry to one Al(1) atom. The Mo(1)-Al(1) bond length is 1.25 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one As(1) atom. The Al(1)-As(1) bond length is 0.49 Å. In the second Al site, Al(2) is bonded in a single-bond geometry to one As(1) atom. The Al(2)-As(1) bond length is 1.42 Å. As(1) is bonded in a bent 120 degrees geometry to one Al(1) and one Al(2) atom.