data_NaGaAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   4.79
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaAu2
_chemical_formula_sum   'Na1 Ga1 Au2'
_cell_volume   83.82
_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  Na3  1  0.0  0.0  0.15  1.0
  Ga  Ga2  1  0.69  0.4  0.73  1.0
  Au  Au0  1  0.69  0.4  0.18  1.0
  Au  Au1  1  0.69  0.0  0.72  1.0

data_NaGaAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.79
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaAu2
_chemical_formula_sum   'Na1 Ga1 Au2'
_cell_volume   83.82
_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  Na0  1  0.0  0.0  0.15  1.0
  Ga  Ga1  1  0.69  0.4  0.73  1.0
  Au  Au2  1  0.69  0.0  0.72  1.0
  Au  Au3  1  0.69  0.4  0.18  1.0

Na Ga Au Au
NaAu2Ga crystallizes in the triclinic P1 space group. Na(1) is bonded in a 2-coordinate geometry to one Au(2) and three equivalent Au(1) atoms. The Na(1)-Au(2) bond length is 2.44 Å. There are a spread of Na(1)-Au(1) bond distances ranging from 2.18-3.09 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Ga(1) atoms. There is one shorter (2.33 Å) and one longer (2.85 Å) Au(1)-Ga(1) bond length. In the second Au site, Au(2) is bonded in a 2-coordinate geometry to one Na(1) and two equivalent Ga(1) atoms. There is one shorter (1.90 Å) and one longer (2.90 Å) Au(2)-Ga(1) bond length. Ga(1) is bonded in a distorted square co-planar geometry to two equivalent Au(1) and two equivalent Au(2) atoms.