data_MnAlZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlZn2
_chemical_formula_sum   'Mn1 Al1 Zn2'
_cell_volume   56.87
_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
  Mn  Mn1  1  0.4  0.4  0.39  1.0
  Al  Al0  1  0.0  0.0  0.74  1.0
  Zn  Zn2  1  0.0  0.0  0.12  1.0
  Zn  Zn3  1  0.4  0.4  0.77  1.0

data_MnAlZn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAlZn2
_chemical_formula_sum   'Mn2 Al2 Zn4'
_cell_volume   113.75
_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
  Mn  Mn0  2  0.4  0.0  0.39  1.0
  Al  Al1  2  0.0  0.0  0.74  1.0
  Zn  Zn2  2  0.0  0.0  0.12  1.0
  Zn  Zn3  2  0.4  0.0  0.77  1.0

Mn Al Zn Zn
MnZn2Al crystallizes in the monoclinic Cm space group. Mn(1) is bonded in a 12-coordinate geometry to four equivalent Mn(1), one Zn(2), four equivalent Zn(1), and three equivalent Al(1) atoms. All Mn(1)-Mn(1) bond lengths are 2.81 Å. The Mn(1)-Zn(2) bond length is 2.72 Å. There are a spread of Mn(1)-Zn(1) bond distances ranging from 2.55-3.08 Å. There is one shorter (2.98 Å) and two longer (3.22 Å) Mn(1)-Al(1) bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 10-coordinate geometry to four equivalent Mn(1), one Zn(2), four equivalent Zn(1), and one Al(1) atom. The Zn(1)-Zn(2) bond length is 2.98 Å. All Zn(1)-Zn(1) bond lengths are 2.81 Å. The Zn(1)-Al(1) bond length is 2.73 Å. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one Mn(1), one Zn(1), and four equivalent Al(1) atoms. There are a spread of Zn(2)-Al(1) bond distances ranging from 1.62-2.37 Å. Al(1) is bonded in a 3-coordinate geometry to three equivalent Mn(1), one Zn(1), and four equivalent Zn(2) atoms.