data_V2NiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75
_cell_length_b   2.75
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiAs
_chemical_formula_sum   'V2 Ni1 As1'
_cell_volume   52.86
_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  0.38  0.38  0.69  1.0
  V  V3  1  0.38  0.38  0.29  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.49  1.0

data_V2NiAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2NiAs
_chemical_formula_sum   'V4 Ni2 As2'
_cell_volume   105.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  V0  2  0.38  0.0  0.29  1.0
  V  V1  2  0.38  0.0  0.69  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  As  As3  2  0.0  0.0  0.49  1.0

V V Ni As
V2NiAs crystallizes in the monoclinic Cm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 1-coordinate geometry to four equivalent Ni(1) and one As(1) atom. There are a spread of V(1)-Ni(1) bond distances ranging from 2.62-3.26 Å. The V(1)-As(1) bond length is 2.03 Å. In the second V site, V(2) is bonded in a 1-coordinate geometry to four equivalent Ni(1) and one As(1) atom. There are a spread of V(2)-Ni(1) bond distances ranging from 2.47-3.14 Å. The V(2)-As(1) bond length is 2.03 Å. Ni(1) is bonded in a 12-coordinate geometry to four equivalent V(1), four equivalent V(2), and four equivalent Ni(1) atoms. All Ni(1)-Ni(1) bond lengths are 2.75 Å. As(1) is bonded in a 2-coordinate geometry to one V(1) and one V(2) atom.