The material structure described by MgZn5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent Mg(1), one Zn(4), two equivalent Zn(1), two equivalent Zn(3), two equivalent Zn(5), and three equivalent Zn(2) atoms to form distorted MgMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(3)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with two equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with three equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(4)MgZn11 cuboctahedra, edges with six equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with two equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(4)MgZn11 cuboctahedra, and faces with five equivalent Zn(2)Mg3Zn9 cuboctahedra. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Mg(1), one Zn(3), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(4), and three equivalent Zn(5) atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with six equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg3Zn9 cuboctahedra, corners with six equivalent Zn(4)MgZn11 cuboctahedra, edges with two equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with three equivalent Zn(4)MgZn11 cuboctahedra, edges with four equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with six equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with three equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with three equivalent Zn(4)MgZn11 cuboctahedra, faces with four equivalent Zn(3)Mg2Zn10 cuboctahedra, and faces with five equivalent Zn(5)Mg2Zn10 cuboctahedra. In the second Zn site, Zn(2) is bonded to three equivalent Mg(1), one Zn(5), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent Zn(4) atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with six equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg3Zn9 cuboctahedra, corners with six equivalent Zn(4)MgZn11 cuboctahedra, edges with two equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(4)MgZn11 cuboctahedra, edges with four equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with six equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with three equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(4)MgZn11 cuboctahedra, faces with four equivalent Zn(5)Mg2Zn10 cuboctahedra, and faces with five equivalent Mg(1)Mg2Zn10 cuboctahedra. In the third Zn site, Zn(3) is bonded to two equivalent Mg(1), one Zn(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(5), and three equivalent Zn(4) atoms to form ZnMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(3)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with two equivalent Zn(4)MgZn11 cuboctahedra, edges with three equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with six equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with two equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with three equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with four equivalent Zn(1)Mg2Zn10 cuboctahedra, and faces with five equivalent Zn(4)MgZn11 cuboctahedra. In the fourth Zn site, Zn(4) is bonded to one Mg(1), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(4), two equivalent Zn(5), and three equivalent Zn(3) atoms to form distorted ZnMgZn11 cuboctahedra that share corners with six equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg3Zn9 cuboctahedra, corners with six equivalent Zn(4)MgZn11 cuboctahedra, edges with two equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with four equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with six equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(4)MgZn11 cuboctahedra, faces with three equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with four equivalent Mg(1)Mg2Zn10 cuboctahedra, and faces with five equivalent Zn(3)Mg2Zn10 cuboctahedra. In the fifth Zn site, Zn(5) is bonded to two equivalent Mg(1), one Zn(2), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(5), and three equivalent Zn(1) atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(3)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with two equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with three equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with six equivalent Zn(4)MgZn11 cuboctahedra, faces with two equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with three equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(4)MgZn11 cuboctahedra, faces with four equivalent Zn(2)Mg3Zn9 cuboctahedra, and faces with five equivalent Zn(1)Mg2Zn10 cuboctahedra. is represented by the CIF file [CIF]
data_MgZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.458
_cell_length_b   5.458
_cell_length_c   6.579
_cell_angle_alpha   75.308
_cell_angle_beta   75.308
_cell_angle_gamma   30.438
_symmetry_Int_Tables_number   1
_cell_volume   95.782
_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
  Mg  Mg0  1  0.613  0.613  0.274  1.0
  Zn  Zn1  1  0.998  0.998  0.995  1.0
  Zn  Zn2  1  0.336  0.336  0.336  1.0
  Zn  Zn3  1  0.941  0.941  0.619  1.0
  Zn  Zn4  1  0.667  0.667  0.669  1.0
  Zn  Zn5  1  0.280  0.280  0.940  1.0
[/CIF]
.
The material structure described by MgZn5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to two equivalent Mg(1), one Zn(4), two equivalent Zn(1), two equivalent Zn(3), two equivalent Zn(5), and three equivalent Zn(2) atoms to form distorted MgMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(3)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with two equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with three equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(4)MgZn11 cuboctahedra, edges with six equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with two equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with four equivalent Zn(4)MgZn11 cuboctahedra, and faces with five equivalent Zn(2)Mg3Zn9 cuboctahedra. There are five inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Mg(1), one Zn(3), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(4), and three equivalent Zn(5) atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with six equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg3Zn9 cuboctahedra, corners with six equivalent Zn(4)MgZn11 cuboctahedra, edges with two equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with three equivalent Zn(4)MgZn11 cuboctahedra, edges with four equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with six equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with three equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with three equivalent Zn(4)MgZn11 cuboctahedra, faces with four equivalent Zn(3)Mg2Zn10 cuboctahedra, and faces with five equivalent Zn(5)Mg2Zn10 cuboctahedra. In the second Zn site, Zn(2) is bonded to three equivalent Mg(1), one Zn(5), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(3), and two equivalent Zn(4) atoms to form distorted ZnMg3Zn9 cuboctahedra that share corners with six equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg3Zn9 cuboctahedra, corners with six equivalent Zn(4)MgZn11 cuboctahedra, edges with two equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(4)MgZn11 cuboctahedra, edges with four equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with six equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with three equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(4)MgZn11 cuboctahedra, faces with four equivalent Zn(5)Mg2Zn10 cuboctahedra, and faces with five equivalent Mg(1)Mg2Zn10 cuboctahedra. In the third Zn site, Zn(3) is bonded to two equivalent Mg(1), one Zn(1), two equivalent Zn(2), two equivalent Zn(3), two equivalent Zn(5), and three equivalent Zn(4) atoms to form ZnMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(3)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with two equivalent Zn(4)MgZn11 cuboctahedra, edges with three equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with six equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with two equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with three equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with four equivalent Zn(1)Mg2Zn10 cuboctahedra, and faces with five equivalent Zn(4)MgZn11 cuboctahedra. In the fourth Zn site, Zn(4) is bonded to one Mg(1), two equivalent Zn(1), two equivalent Zn(2), two equivalent Zn(4), two equivalent Zn(5), and three equivalent Zn(3) atoms to form distorted ZnMgZn11 cuboctahedra that share corners with six equivalent Zn(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(2)Mg3Zn9 cuboctahedra, corners with six equivalent Zn(4)MgZn11 cuboctahedra, edges with two equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with four equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with six equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with two equivalent Zn(4)MgZn11 cuboctahedra, faces with three equivalent Zn(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(2)Mg3Zn9 cuboctahedra, faces with four equivalent Mg(1)Mg2Zn10 cuboctahedra, and faces with five equivalent Zn(3)Mg2Zn10 cuboctahedra. In the fifth Zn site, Zn(5) is bonded to two equivalent Mg(1), one Zn(2), two equivalent Zn(3), two equivalent Zn(4), two equivalent Zn(5), and three equivalent Zn(1) atoms to form distorted ZnMg2Zn10 cuboctahedra that share corners with six equivalent Mg(1)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(3)Mg2Zn10 cuboctahedra, corners with six equivalent Zn(5)Mg2Zn10 cuboctahedra, edges with two equivalent Zn(1)Mg2Zn10 cuboctahedra, edges with three equivalent Mg(1)Mg2Zn10 cuboctahedra, edges with three equivalent Zn(3)Mg2Zn10 cuboctahedra, edges with four equivalent Zn(2)Mg3Zn9 cuboctahedra, edges with six equivalent Zn(4)MgZn11 cuboctahedra, faces with two equivalent Zn(5)Mg2Zn10 cuboctahedra, faces with three equivalent Mg(1)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(3)Mg2Zn10 cuboctahedra, faces with three equivalent Zn(4)MgZn11 cuboctahedra, faces with four equivalent Zn(2)Mg3Zn9 cuboctahedra, and faces with five equivalent Zn(1)Mg2Zn10 cuboctahedra. is represented by the CIF file [CIF]
data_MgZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.458
_cell_length_b   5.458
_cell_length_c   6.579
_cell_angle_alpha   75.308
_cell_angle_beta   75.308
_cell_angle_gamma   30.438
_symmetry_Int_Tables_number   1
_cell_volume   95.782
_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
  Mg  Mg0  1  0.613  0.613  0.274  1.0
  Zn  Zn1  1  0.998  0.998  0.995  1.0
  Zn  Zn2  1  0.336  0.336  0.336  1.0
  Zn  Zn3  1  0.941  0.941  0.619  1.0
  Zn  Zn4  1  0.667  0.667  0.669  1.0
  Zn  Zn5  1  0.280  0.280  0.940  1.0
[/CIF]
.