The compound described by MgZn3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Zn(1) and eight equivalent Zn(2) atoms to form MgZn12 cuboctahedra that share corners with four equivalent Mg(1)Zn12 cuboctahedra, corners with eight equivalent Zn(1)Mg4Zn8 cuboctahedra, edges with eight equivalent Mg(1)Zn12 cuboctahedra, edges with sixteen equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Mg(1)Zn12 cuboctahedra, faces with six equivalent Zn(1)Mg4Zn8 cuboctahedra, and faces with eight equivalent Zn(2)Mg4Zn8 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Mg(1) and eight equivalent Zn(2) atoms to form ZnMg4Zn8 cuboctahedra that share corners with four equivalent Zn(1)Mg4Zn8 cuboctahedra, corners with eight equivalent Mg(1)Zn12 cuboctahedra, edges with eight equivalent Zn(1)Mg4Zn8 cuboctahedra, edges with sixteen equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(1)Mg4Zn8 cuboctahedra, faces with six equivalent Mg(1)Zn12 cuboctahedra, and faces with eight equivalent Zn(2)Mg4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent Mg(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with twelve equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with eight equivalent Mg(1)Zn12 cuboctahedra, edges with eight equivalent Zn(1)Mg4Zn8 cuboctahedra, edges with eight equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Mg(1)Zn12 cuboctahedra, faces with four equivalent Zn(1)Mg4Zn8 cuboctahedra, and faces with ten equivalent Zn(2)Mg4Zn8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.856
_cell_length_b   4.856
_cell_length_c   4.856
_cell_angle_alpha   129.822
_cell_angle_beta   129.822
_cell_angle_gamma   73.691
_symmetry_Int_Tables_number   1
_cell_volume   65.921
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.250  0.750  0.500  1.0
  Zn  Zn3  1  0.750  0.250  0.500  1.0
[/CIF]
.
The compound described by MgZn3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Zn(1) and eight equivalent Zn(2) atoms to form MgZn12 cuboctahedra that share corners with four equivalent Mg(1)Zn12 cuboctahedra, corners with eight equivalent Zn(1)Mg4Zn8 cuboctahedra, edges with eight equivalent Mg(1)Zn12 cuboctahedra, edges with sixteen equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Mg(1)Zn12 cuboctahedra, faces with six equivalent Zn(1)Mg4Zn8 cuboctahedra, and faces with eight equivalent Zn(2)Mg4Zn8 cuboctahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Mg(1) and eight equivalent Zn(2) atoms to form ZnMg4Zn8 cuboctahedra that share corners with four equivalent Zn(1)Mg4Zn8 cuboctahedra, corners with eight equivalent Mg(1)Zn12 cuboctahedra, edges with eight equivalent Zn(1)Mg4Zn8 cuboctahedra, edges with sixteen equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(1)Mg4Zn8 cuboctahedra, faces with six equivalent Mg(1)Zn12 cuboctahedra, and faces with eight equivalent Zn(2)Mg4Zn8 cuboctahedra. In the second Zn site, Zn(2) is bonded to four equivalent Mg(1), four equivalent Zn(1), and four equivalent Zn(2) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with twelve equivalent Zn(2)Mg4Zn8 cuboctahedra, edges with eight equivalent Mg(1)Zn12 cuboctahedra, edges with eight equivalent Zn(1)Mg4Zn8 cuboctahedra, edges with eight equivalent Zn(2)Mg4Zn8 cuboctahedra, faces with four equivalent Mg(1)Zn12 cuboctahedra, faces with four equivalent Zn(1)Mg4Zn8 cuboctahedra, and faces with ten equivalent Zn(2)Mg4Zn8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.856
_cell_length_b   4.856
_cell_length_c   4.856
_cell_angle_alpha   129.822
_cell_angle_beta   129.822
_cell_angle_gamma   73.691
_symmetry_Int_Tables_number   1
_cell_volume   65.921
_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  0.000  0.000  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.250  0.750  0.500  1.0
  Zn  Zn3  1  0.750  0.250  0.500  1.0
[/CIF]
.