data_Mg(ZnCu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   4.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(ZnCu)3
_chemical_formula_sum   'Mg2 Zn6 Cu6'
_cell_volume   194.98
_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  Mg6  1  0.0  0.17  0.08  1.0
  Mg  Mg7  1  0.61  0.09  0.23  1.0
  Zn  Zn8  1  0.01  0.12  0.08  1.0
  Zn  Zn9  1  0.31  0.47  0.08  1.0
  Zn  Zn10  1  0.69  0.92  0.08  1.0
  Zn  Zn11  1  0.61  0.14  0.23  1.0
  Zn  Zn12  1  0.31  0.79  0.23  1.0
  Zn  Zn13  1  0.93  0.34  0.23  1.0
  Cu  Cu0  1  0.02  0.39  0.08  1.0
  Cu  Cu1  1  0.15  0.56  0.08  1.0
  Cu  Cu2  1  0.67  0.32  0.08  1.0
  Cu  Cu3  1  0.59  0.87  0.23  1.0
  Cu  Cu4  1  0.46  0.7  0.23  1.0
  Cu  Cu5  1  0.94  0.94  0.23  1.0

data_Mg(ZnCu)3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.31
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg(ZnCu)3
_chemical_formula_sum   'Mg2 Zn6 Cu6'
_cell_volume   194.98
_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  0.08  0.31  0.96  1.0
  Zn  Zn1  2  0.08  0.3  0.01  1.0
  Zn  Zn2  2  0.08  0.62  0.21  1.0
  Zn  Zn3  2  0.08  1.0  0.66  1.0
  Cu  Cu4  2  0.08  0.16  0.57  1.0
  Cu  Cu5  2  0.08  0.29  0.74  1.0
  Cu  Cu6  2  0.08  0.64  0.81  1.0

Mg Mg Zn Zn Zn Zn Zn Zn Cu Cu Cu Cu Cu Cu
Mg Mg Zn Zn Zn Zn Zn Zn Cu Cu Cu Cu Cu Cu 0 2 o o o 1 5 o o o 2 13 - - o 3 8 o o o 3 9 o o o 3 12 o o o 4 11 o o o 5 10 o o o 6 9 o o o 6 12 o o o 6 11 o o o 7 8 + o o 8 9 o o o 11 12 o o o 
Mg(CuZn)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Mg(CuZn)3 cluster. Mg(1) is bonded in a distorted single-bond geometry to one Zn(1) atom. The Mg(1)-Zn(1) bond length is 0.38 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Cu(2) and one Zn(3) atom. The Cu(1)-Cu(2) bond length is 1.10 Å. The Cu(1)-Zn(3) bond length is 0.88 Å. In the second Cu site, Cu(2) is bonded in a T-shaped geometry to one Cu(1) and two equivalent Zn(2) atoms. There is one shorter (1.54 Å) and one longer (1.63 Å) Cu(2)-Zn(2) bond length. In the third Cu site, Cu(3) is bonded in a 2-coordinate geometry to one Zn(1) and one Zn(3) atom. The Cu(3)-Zn(1) bond length is 1.32 Å. The Cu(3)-Zn(3) bond length is 1.91 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Cu(3) atom. In the second Zn site, Zn(2) is bonded in a 2-coordinate geometry to two equivalent Cu(2) atoms. In the third Zn site, Zn(3) is bonded in a single-bond geometry to one Cu(1) and one Cu(3) atom.