data_Mn2AlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65
_cell_length_b   8.65
_cell_length_c   8.65
_cell_angle_alpha   17.61
_cell_angle_beta   17.61
_cell_angle_gamma   17.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlZn
_chemical_formula_sum   'Mn2 Al1 Zn1'
_cell_volume   51.74
_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  0.0  0.0  0.43  1.0
  Mn  Mn2  1  0.0  0.0  0.12  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.77  1.0

data_Mn2AlZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   2.65
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   100.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2AlZn
_chemical_formula_sum   'Mn4 Al2 Zn2'
_cell_volume   103.47
_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  0.0  0.0  0.57  1.0
  Mn  Mn1  2  0.0  0.0  0.88  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  Zn  Zn3  2  0.0  0.0  0.23  1.0

Mn Mn Al Zn
Mn Mn Al Zn 0 0 o + - 0 0 + - o 0 0 + o - 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o - 
Mn2ZnAl crystallizes in the monoclinic Cm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Mn(2), six equivalent Mn(1), and one Zn(1) atom to form a mixture of corner and edge-sharing MnMn7Zn hexagonal bipyramids. The Mn(1)-Mn(2) bond length is 2.63 Å. All Mn(1)-Mn(1) bond lengths are 2.65 Å. The Mn(1)-Zn(1) bond length is 3.01 Å. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Mn(1) and one Al(1) atom. The Mn(2)-Al(1) bond length is 1.05 Å. Zn(1) is bonded in a distorted single-bond geometry to one Mn(1) and one Al(1) atom. The Zn(1)-Al(1) bond length is 1.96 Å. Al(1) is bonded in a distorted single-bond geometry to one Mn(2) and one Zn(1) atom.