data_NaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   138.39
_cell_angle_beta   138.39
_cell_angle_gamma   60.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAu2
_chemical_formula_sum   'Na1 Au2'
_cell_volume   60.5
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.02  1.0
  Au  Au1  1  0.0  0.0  0.93  1.0

data_NaAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   120.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaAu2
_chemical_formula_sum   'Na2 Au4'
_cell_volume   121.0
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Au  Au1  2  0.0  0.0  0.02  1.0
  Au  Au2  2  0.0  0.0  0.93  1.0

Na Au Au
NaAu2 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaAu2 clusters. Na(1) is bonded in a linear geometry to one Au(1) and one Au(2) atom. The Na(1)-Au(1) bond length is 0.09 Å. The Na(1)-Au(2) bond length is 0.34 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Na(1) atom. In the second Au site, Au(2) is bonded in a single-bond geometry to one Na(1) atom.