data_Al2ZnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01
_cell_length_b   9.01
_cell_length_c   9.01
_cell_angle_alpha   18.3
_cell_angle_beta   18.3
_cell_angle_gamma   18.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2ZnMo
_chemical_formula_sum   'Al2 Zn1 Mo1'
_cell_volume   63.04
_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  0.95  1.0
  Al  Al1  1  0.0  0.0  0.63  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.29  1.0

data_Al2ZnMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   2.87
_cell_length_c   9.01
_cell_angle_alpha   90.0
_cell_angle_beta   100.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2ZnMo
_chemical_formula_sum   'Al4 Zn2 Mo2'
_cell_volume   126.08
_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
  Al  Al0  2  0.0  0.0  0.05  1.0
  Al  Al1  2  0.0  0.0  0.37  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0
  Mo  Mo3  2  0.0  0.0  0.71  1.0

Al Al Zn Mo
MoZnAl2 crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 2-coordinate geometry to one Zn(1) and one Al(2) atom. The Mo(1)-Zn(1) bond length is 2.59 Å. The Mo(1)-Al(2) bond length is 3.07 Å. Zn(1) is bonded in a single-bond geometry to one Mo(1) and one Al(1) atom. The Zn(1)-Al(1) bond length is 0.47 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a single-bond geometry to one Zn(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 2.88 Å. In the second Al site, Al(2) is bonded to one Mo(1), one Al(1), and six equivalent Al(2) atoms to form a mixture of distorted edge and corner-sharing AlAl7Mo hexagonal bipyramids. All Al(2)-Al(2) bond lengths are 2.87 Å.