data_VNiBiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNiBiAu
_chemical_formula_sum   'V1 Ni1 Bi1 Au1'
_cell_volume   72.24
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.65  0.65  0.65  1.0
  Bi  Bi1  1  0.96  0.96  0.96  1.0
  Au  Au0  1  0.31  0.31  0.31  1.0

data_VNiBiAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   11.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VNiBiAu
_chemical_formula_sum   'V3 Ni3 Bi3 Au3'
_cell_volume   216.71
_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
  V  V0  3  0.0  0.0  0.0  1.0
  Ni  Ni1  3  0.0  0.0  0.35  1.0
  Bi  Bi2  3  0.0  0.0  0.04  1.0
  Au  Au3  3  0.0  0.0  0.69  1.0

V Ni Bi Au
V Ni Bi Au 0 2 - - - 0 1 o - - 0 1 - o - 0 1 - - o 0 3 o o - 0 3 o - o 0 3 - o o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 + + o 2 3 + o + 2 3 o + + 
VNiAuBi crystallizes in the trigonal R3m space group. V(1) is bonded in a single-bond geometry to four equivalent Au(1) and one Bi(1) atom. There are three shorter (2.72 Å) and one longer (3.50 Å) V(1)-Au(1) bond length. The V(1)-Bi(1) bond length is 0.48 Å. Ni(1) is bonded in a 3-coordinate geometry to three equivalent Au(1) atoms. All Ni(1)-Au(1) bond lengths are 2.70 Å. Au(1) is bonded in a distorted q6 geometry to four equivalent V(1), three equivalent Ni(1), and three equivalent Bi(1) atoms. All Au(1)-Bi(1) bond lengths are 2.70 Å. Bi(1) is bonded in a single-bond geometry to one V(1) and three equivalent Au(1) atoms.