data_Na2ScAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ScAu
_chemical_formula_sum   'Na2 Sc1 Au1'
_cell_volume   107.21
_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  Na1  1  0.0  0.0  0.21  1.0
  Na  Na2  1  0.76  0.76  0.31  1.0
  Sc  Sc3  1  0.0  0.0  0.93  1.0
  Au  Au0  1  0.76  0.76  0.18  1.0

data_Na2ScAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2ScAu
_chemical_formula_sum   'Na4 Sc2 Au2'
_cell_volume   214.42
_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  0.21  1.0
  Na  Na1  2  0.26  0.5  0.31  1.0
  Sc  Sc2  2  0.0  0.0  0.93  1.0
  Au  Au3  2  0.26  0.5  0.18  1.0

Na Na Sc Au
Na Na Sc Au 0 3 - - o 0 2 o o - 1 3 o o o 2 3 - - + 
Na2ScAu crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Na2ScAu clusters. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a single-bond geometry to one Sc(1) and one Au(1) atom. The Na(1)-Sc(1) bond length is 2.38 Å. The Na(1)-Au(1) bond length is 1.21 Å. In the second Na site, Na(2) is bonded in a single-bond geometry to one Au(1) atom. The Na(2)-Au(1) bond length is 1.14 Å. Sc(1) is bonded in a 2-coordinate geometry to one Na(1) and one Au(1) atom. The Sc(1)-Au(1) bond length is 2.48 Å. Au(1) is bonded in a distorted L-shaped geometry to one Na(1), one Na(2), and one Sc(1) atom.