data_MgCuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.94
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuAu2
_chemical_formula_sum   'Mg1 Cu1 Au2'
_cell_volume   64.76
_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  Mg3  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.93  0.0  0.13  1.0
  Au  Au0  1  0.0  0.97  0.13  1.0
  Au  Au1  1  0.93  0.97  0.0  1.0

data_MgCuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.94
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuAu2
_chemical_formula_sum   'Mg1 Cu1 Au2'
_cell_volume   64.76
_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  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.93  0.0  0.13  1.0
  Au  Au2  1  -0.0  0.97  0.13  1.0
  Au  Au3  1  0.93  0.97  0.0  1.0

Mg Cu Au Au
Mg Cu Au Au 0 3 - - o 1 2 + - o 
MgAu2Cu is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgAu2Cu cluster. Mg(1) is bonded in a distorted L-shaped geometry to one Au(1) and one Au(2) atom. The Mg(1)-Au(1) bond length is 0.57 Å. The Mg(1)-Au(2) bond length is 0.30 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted L-shaped geometry to one Mg(1) and one Cu(1) atom. The Au(1)-Cu(1) bond length is 0.30 Å. In the second Au site, Au(2) is bonded in a distorted single-bond geometry to one Mg(1) and one Cu(1) atom. The Au(2)-Cu(1) bond length is 0.57 Å. Cu(1) is bonded in a 2-coordinate geometry to one Au(1) and one Au(2) atom.