data_NaVAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   4.85
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVAu2
_chemical_formula_sum   'Na1 V1 Au2'
_cell_volume   72.37
_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
  V  V3  1  0.0  0.42  0.48  1.0
  Au  Au0  1  0.51  0.42  0.0  1.0
  Au  Au1  1  0.51  0.0  0.48  1.0

data_NaVAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.85
_cell_length_b   3.01
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaVAu2
_chemical_formula_sum   'Na1 V1 Au2'
_cell_volume   72.37
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Na0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.42  0.0  0.48  1.0
  Au  Au2  1  0.0  0.5  0.48  1.0
  Au  Au3  1  0.42  0.5  0.0  1.0

Na V Au Au
Na V Au Au 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 3 - o - 0 3 - o o 0 3 o o - 0 3 o o o 0 0 + o o 0 1 o o - 0 1 o o o 1 3 - o o 1 3 - + o 1 3 o o o 1 3 o + o 1 2 - o o 1 2 - o + 1 2 o o o 1 2 o o + 1 1 + o o 2 2 + o o 2 3 o o - 2 3 o o o 3 3 + o o 
NaVAu2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 8-coordinate geometry to four equivalent Au(1) and four equivalent Au(2) atoms. There are a spread of Na(1)-Au(1) bond distances ranging from 2.54-3.18 Å. There are a spread of Na(1)-Au(2) bond distances ranging from 2.79-3.01 Å. V(1) is bonded in a 8-coordinate geometry to four equivalent Au(1) and four equivalent Au(2) atoms. There are a spread of V(1)-Au(1) bond distances ranging from 2.79-3.01 Å. There are a spread of V(1)-Au(2) bond distances ranging from 2.54-3.18 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 8-coordinate geometry to four equivalent Na(1) and four equivalent V(1) atoms. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to four equivalent Na(1) and four equivalent V(1) atoms.