The structure described by Mn3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Zn(1) atoms to form MnMn8Zn4 cuboctahedra that share corners with twelve equivalent Mn(1)Mn8Zn4 cuboctahedra, edges with eight equivalent Mn(1)Mn8Zn4 cuboctahedra, edges with eight equivalent Mn(2)Mn8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Mn12 cuboctahedra, faces with four equivalent Mn(2)Mn8Zn4 cuboctahedra, faces with four equivalent Zn(1)Mn12 cuboctahedra, and faces with ten equivalent Mn(1)Mn8Zn4 cuboctahedra. In the second Mn site, Mn(2) is bonded to eight equivalent Mn(1) and four equivalent Zn(1) atoms to form MnMn8Zn4 cuboctahedra that share corners with four equivalent Mn(2)Mn8Zn4 cuboctahedra, corners with eight equivalent Zn(1)Mn12 cuboctahedra, edges with eight equivalent Mn(2)Mn8Zn4 cuboctahedra, edges with sixteen equivalent Mn(1)Mn8Zn4 cuboctahedra, faces with four equivalent Mn(2)Mn8Zn4 cuboctahedra, faces with six equivalent Zn(1)Mn12 cuboctahedra, and faces with eight equivalent Mn(1)Mn8Zn4 cuboctahedra. Zn(1) is bonded to four equivalent Mn(2) and eight equivalent Mn(1) atoms to form ZnMn12 cuboctahedra that share corners with four equivalent Zn(1)Mn12 cuboctahedra, corners with eight equivalent Mn(2)Mn8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Mn12 cuboctahedra, edges with sixteen equivalent Mn(1)Mn8Zn4 cuboctahedra, faces with four equivalent Zn(1)Mn12 cuboctahedra, faces with six equivalent Mn(2)Mn8Zn4 cuboctahedra, and faces with eight equivalent Mn(1)Mn8Zn4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.557
_cell_length_b   4.557
_cell_length_c   4.557
_cell_angle_alpha   134.709
_cell_angle_beta   134.709
_cell_angle_gamma   65.983
_symmetry_Int_Tables_number   1
_cell_volume   47.053
_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  Mn0  1  0.750  0.250  0.500  1.0
  Mn  Mn1  1  0.250  0.750  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by Mn3Zn is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Zn(1) atoms to form MnMn8Zn4 cuboctahedra that share corners with twelve equivalent Mn(1)Mn8Zn4 cuboctahedra, edges with eight equivalent Mn(1)Mn8Zn4 cuboctahedra, edges with eight equivalent Mn(2)Mn8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Mn12 cuboctahedra, faces with four equivalent Mn(2)Mn8Zn4 cuboctahedra, faces with four equivalent Zn(1)Mn12 cuboctahedra, and faces with ten equivalent Mn(1)Mn8Zn4 cuboctahedra. In the second Mn site, Mn(2) is bonded to eight equivalent Mn(1) and four equivalent Zn(1) atoms to form MnMn8Zn4 cuboctahedra that share corners with four equivalent Mn(2)Mn8Zn4 cuboctahedra, corners with eight equivalent Zn(1)Mn12 cuboctahedra, edges with eight equivalent Mn(2)Mn8Zn4 cuboctahedra, edges with sixteen equivalent Mn(1)Mn8Zn4 cuboctahedra, faces with four equivalent Mn(2)Mn8Zn4 cuboctahedra, faces with six equivalent Zn(1)Mn12 cuboctahedra, and faces with eight equivalent Mn(1)Mn8Zn4 cuboctahedra. Zn(1) is bonded to four equivalent Mn(2) and eight equivalent Mn(1) atoms to form ZnMn12 cuboctahedra that share corners with four equivalent Zn(1)Mn12 cuboctahedra, corners with eight equivalent Mn(2)Mn8Zn4 cuboctahedra, edges with eight equivalent Zn(1)Mn12 cuboctahedra, edges with sixteen equivalent Mn(1)Mn8Zn4 cuboctahedra, faces with four equivalent Zn(1)Mn12 cuboctahedra, faces with six equivalent Mn(2)Mn8Zn4 cuboctahedra, and faces with eight equivalent Mn(1)Mn8Zn4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.557
_cell_length_b   4.557
_cell_length_c   4.557
_cell_angle_alpha   134.709
_cell_angle_beta   134.709
_cell_angle_gamma   65.983
_symmetry_Int_Tables_number   1
_cell_volume   47.053
_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  Mn0  1  0.750  0.250  0.500  1.0
  Mn  Mn1  1  0.250  0.750  0.500  1.0
  Mn  Mn2  1  0.500  0.500  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
[/CIF]
.