data_V2NiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiBi
_chemical_formula_sum   'V2 Ni1 Bi1'
_cell_volume   62.02
_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  V2  1  0.57  0.57  0.57  1.0
  V  V3  1  0.71  0.71  0.71  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.14  0.14  0.14  1.0

data_V2NiBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   10.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V2NiBi
_chemical_formula_sum   'V6 Ni3 Bi3'
_cell_volume   186.05
_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  0.29  1.0
  V  V1  3  0.0  0.0  0.43  1.0
  Ni  Ni2  3  0.0  0.0  0.0  1.0
  Bi  Bi3  3  0.0  0.0  0.86  1.0

V V Ni Bi
V V Ni Bi 0 1 o o o 2 3 o o o 
V2NiBi crystallizes in the trigonal R3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 7-coordinate geometry to one V(2), three equivalent Ni(1), and three equivalent Bi(1) atoms. The V(1)-V(2) bond length is 1.54 Å. All V(1)-Ni(1) bond lengths are 2.77 Å. All V(1)-Bi(1) bond lengths are 2.77 Å. In the second V site, V(2) is bonded in a distorted single-bond geometry to one V(1) atom. Ni(1) is bonded in a single-bond geometry to three equivalent V(1) and one Bi(1) atom. The Ni(1)-Bi(1) bond length is 1.54 Å. Bi(1) is bonded in a distorted single-bond geometry to three equivalent V(1) and one Ni(1) atom.