data_Mg2AlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.17
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlZn
_chemical_formula_sum   'Mg2 Al1 Zn1'
_cell_volume   74.04
_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  Mg1  1  0.49  0.09  0.49  1.0
  Mg  Mg2  1  0.49  0.09  0.45  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.97  1.0

data_Mg2AlZn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.17
_cell_length_b   2.99
_cell_length_c   5.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mg2AlZn
_chemical_formula_sum   'Mg2 Al1 Zn1'
_cell_volume   74.04
_cell_formula_units_Z   1
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  1  0.09  0.5  0.45  1.0
  Mg  Mg1  1  0.09  0.5  0.49  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.97  1.0

Mg Mg Al Zn
Mg Mg Al Zn 0 1 o o o 2 3 o o - 
AlMg2Zn is High Pressure Cadmuum Telluride structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one aluminium--zinc (1/1) molecule and one Mg cluster. In the Mg cluster, 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 0.26 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Mg(1) atom.