data_AlZn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06
_cell_length_b   9.06
_cell_length_c   9.06
_cell_angle_alpha   18.0
_cell_angle_beta   18.0
_cell_angle_gamma   18.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZn2Mo
_chemical_formula_sum   'Al1 Zn2 Mo1'
_cell_volume   61.96
_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  0.0  1.0
  Zn  Zn2  1  0.0  0.0  0.68  1.0
  Zn  Zn3  1  0.0  0.0  0.05  1.0
  Mo  Mo1  1  0.0  0.0  0.36  1.0

data_AlZn2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   2.83
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   100.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlZn2Mo
_chemical_formula_sum   'Al2 Zn4 Mo2'
_cell_volume   123.91
_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  0.0  1.0
  Zn  Zn1  2  0.0  0.0  0.32  1.0
  Zn  Zn2  2  0.0  0.0  0.95  1.0
  Mo  Mo3  2  0.0  0.0  0.64  1.0

Al Zn Zn Mo
Al Zn Zn Mo 0 2 o o o 0 1 o o - 0 3 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
MoZn2Al crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a distorted linear geometry to one Zn(1) and one Zn(2) atom. The Mo(1)-Zn(1) bond length is 2.84 Å. The Mo(1)-Zn(2) bond length is 2.84 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Mo(1), six equivalent Zn(1), and one Al(1) atom to form a mixture of distorted edge and corner-sharing ZnAlZn6Mo hexagonal bipyramids. All Zn(1)-Zn(1) bond lengths are 2.83 Å. The Zn(1)-Al(1) bond length is 2.91 Å. In the second Zn site, Zn(2) is bonded in a single-bond geometry to one Mo(1) and one Al(1) atom. The Zn(2)-Al(1) bond length is 0.46 Å. Al(1) is bonded in a single-bond geometry to one Zn(1) and one Zn(2) atom.