data_Mn2NiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiAu
_chemical_formula_sum   'Mn2 Ni1 Au1'
_cell_volume   50.63
_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
  Mn  Mn1  1  0.3  0.3  0.82  1.0
  Mn  Mn2  1  0.3  0.3  0.66  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.74  1.0

data_Mn2NiAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2NiAu
_chemical_formula_sum   'Mn4 Ni2 Au2'
_cell_volume   101.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mn  Mn0  2  0.3  0.0  0.66  1.0
  Mn  Mn1  2  0.3  0.0  0.82  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.74  1.0

Mn Mn Ni Au
Mn2NiAu crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mn2NiAu clusters. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Ni(1) and one Au(1) atom. The Mn(1)-Ni(1) bond length is 1.74 Å. The Mn(1)-Au(1) bond length is 1.26 Å. In the second Mn site, Mn(2) is bonded in a 1-coordinate geometry to one Au(1) atom. The Mn(2)-Au(1) bond length is 1.26 Å. Ni(1) is bonded in a 2-coordinate geometry to one Mn(1) and one Au(1) atom. The Ni(1)-Au(1) bond length is 1.95 Å. Au(1) is bonded in a 2-coordinate geometry to one Mn(1), one Mn(2), and one Ni(1) atom.