data_BaNi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   43.85
_cell_angle_beta   43.85
_cell_angle_gamma   43.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi2Au
_chemical_formula_sum   'Ba1 Ni2 Au1'
_cell_volume   89.55
_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
  Ba  Ba1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.0  0.89  1.0
  Ni  Ni3  1  0.0  0.0  0.08  1.0
  Au  Au0  1  0.0  0.0  0.99  1.0

data_BaNi2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.63
_cell_length_b   4.41
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   115.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaNi2Au
_chemical_formula_sum   'Ba2 Ni4 Au2'
_cell_volume   179.1
_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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.08  1.0
  Ni  Ni2  2  0.0  0.0  0.89  1.0
  Au  Au3  2  0.0  0.0  0.99  1.0

Ba Ni Ni Au
BaNi2Au is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaNi2Au clusters. Ba(1) is bonded in a linear geometry to one Ni(2) and one Au(1) atom. The Ba(1)-Ni(2) bond length is 0.48 Å. The Ba(1)-Au(1) bond length is 0.08 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Au(1) atom. The Ni(1)-Au(1) bond length is 0.55 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Ba(1) atom. Au(1) is bonded in a linear geometry to one Ba(1) and one Ni(1) atom.