data_NaBiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBiAu
_chemical_formula_sum   'Na1 Bi1 Au1'
_cell_volume   78.52
_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
  Bi  Bi1  1  0.1  0.1  0.1  1.0
  Au  Au0  1  0.7  0.7  0.7  1.0

data_NaBiAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   11.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaBiAu
_chemical_formula_sum   'Na3 Bi3 Au3'
_cell_volume   235.55
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Bi  Bi1  3  0.0  0.0  0.9  1.0
  Au  Au2  3  0.0  0.0  0.3  1.0

Na Bi Au
NaAuBi crystallizes in the trigonal R3m space group. Na(1) is bonded in a single-bond geometry to four equivalent Au(1) and one Bi(1) atom. There are three shorter (2.80 Å) and one longer (3.54 Å) Na(1)-Au(1) bond length. The Na(1)-Bi(1) bond length is 1.15 Å. Au(1) is bonded to four equivalent Na(1) and three equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing AuNa4Bi3 hexagonal pyramids. All Au(1)-Bi(1) bond lengths are 2.88 Å. Bi(1) is bonded in a single-bond geometry to one Na(1) and three equivalent Au(1) atoms.