data_NaVAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.75
_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   69.42
_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  0.51  0.51  0.0  1.0
  Au  Au0  1  0.51  0.0  0.37  1.0
  Au  Au1  1  0.0  0.51  0.37  1.0

data_NaVAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   2.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaVAu2
_chemical_formula_sum   'Na2 V2 Au4'
_cell_volume   138.84
_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
  V  V1  2  0.01  0.5  0.0  1.0
  Au  Au2  4  0.26  0.26  0.37  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 + 1 3 o o - 1 3 o o o 1 3 + o - 1 3 + o o 1 2 o o - 1 2 o o o 1 2 o + - 1 2 o + o 1 1 o o + 2 2 o o + 3 3 o o + 
NaVAu2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 4-coordinate geometry to eight equivalent Au(1) atoms. There are a spread of Na(1)-Au(1) bond distances ranging from 2.66-3.10 Å. V(1) is bonded in a 4-coordinate geometry to eight equivalent Au(1) atoms. There are a spread of V(1)-Au(1) bond distances ranging from 2.66-3.10 Å. Au(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), four equivalent V(1), and two equivalent Au(1) atoms. Both Au(1)-Au(1) bond lengths are 2.75 Å.