data_VNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi
_chemical_formula_sum   'V4 Ni4'
_cell_volume   97.33
_cell_formula_units_Z   4
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  V4  1  0.91  0.74  0.74  1.0
  V  V5  1  0.91  0.91  0.91  1.0
  V  V6  1  0.74  0.91  0.74  1.0
  V  V7  1  0.74  0.74  0.91  1.0
  Ni  Ni0  1  0.74  0.74  0.56  1.0
  Ni  Ni1  1  0.74  0.56  0.74  1.0
  Ni  Ni2  1  0.56  0.56  0.56  1.0
  Ni  Ni3  1  0.56  0.74  0.74  1.0

data_VNi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VNi
_chemical_formula_sum   'V12 Ni12'
_cell_volume   292.0
_cell_formula_units_Z   12
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  9  0.06  0.12  0.2  1.0
  V  V1  3  0.0  0.0  0.09  1.0
  Ni  Ni2  9  0.12  0.06  0.32  1.0
  Ni  Ni3  3  0.0  0.0  0.44  1.0

V V V V Ni Ni Ni Ni
NiV crystallizes in the trigonal R3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one V(2), two equivalent V(1), one Ni(2), and two equivalent Ni(1) atoms. The V(1)-V(2) bond length is 1.56 Å. Both V(1)-V(1) bond lengths are 0.90 Å. The V(1)-Ni(2) bond length is 2.77 Å. Both V(1)-Ni(1) bond lengths are 1.56 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to three equivalent V(1) and three equivalent Ni(1) atoms. All V(2)-Ni(1) bond lengths are 2.77 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one V(2), two equivalent V(1), one Ni(2), and two equivalent Ni(1) atoms. The Ni(1)-Ni(2) bond length is 1.56 Å. Both Ni(1)-Ni(1) bond lengths are 0.90 Å. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to three equivalent V(1) and three equivalent Ni(1) atoms.