data_Mg2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94
_cell_length_b   7.94
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   157.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn
_chemical_formula_sum   'Mg4 Zn2'
_cell_volume   119.91
_cell_formula_units_Z   2
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  0.55  0.12  0.24  1.0
  Mg  Mg1  1  0.55  0.16  0.24  1.0
  Mg  Mg2  1  0.55  0.84  0.72  1.0
  Mg  Mg3  1  0.55  0.88  0.72  1.0
  Zn  Zn4  1  0.55  0.46  0.24  1.0
  Zn  Zn5  1  0.55  0.54  0.72  1.0

data_Mg2Zn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.11
_cell_length_b   4.96
_cell_length_c   7.94
_cell_angle_alpha   90.0
_cell_angle_beta   101.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg2Zn
_chemical_formula_sum   'Mg4 Zn2'
_cell_volume   119.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.12  0.74  0.12  1.0
  Mg  Mg1  2  0.16  0.74  0.16  1.0
  Zn  Zn2  2  0.46  0.74  0.46  1.0

Mg Mg Mg Mg Zn Zn
Mg2Zn crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Mg2Zn clusters. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Mg(2) atom. The Mg(1)-Mg(2) bond length is 0.31 Å. In the second Mg site, Mg(2) is bonded in a distorted linear geometry to one Mg(1) and one Zn(1) atom. The Mg(2)-Zn(1) bond length is 2.45 Å. Zn(1) is bonded in a 1-coordinate geometry to one Mg(2) atom.