data_VGa2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VGa2Ni
_chemical_formula_sum   'V1 Ga2 Ni1'
_cell_volume   56.37
_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  0.47  1.0
  Ga  Ga0  1  0.37  0.37  0.36  1.0
  Ga  Ga1  1  0.0  0.0  0.18  1.0
  Ni  Ni2  1  0.37  0.37  0.83  1.0

data_VGa2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VGa2Ni
_chemical_formula_sum   'V2 Ga4 Ni2'
_cell_volume   112.74
_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  0.0  0.0  0.47  1.0
  Ga  Ga1  2  0.0  0.0  0.18  1.0
  Ga  Ga2  2  0.37  0.0  0.36  1.0
  Ni  Ni3  2  0.37  0.0  0.83  1.0

V Ga Ga Ni
V Ga Ga Ni 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 2 + o o 1 2 o + o 2 3 o o - 2 3 o - - 2 3 - o - 3 3 + o o 3 3 o + o 
VNiGa2 crystallizes in the monoclinic Cm space group. V(1) is bonded in a 1-coordinate geometry to one Ni(1), one Ga(1), and one Ga(2) atom. The V(1)-Ni(1) bond length is 3.11 Å. The V(1)-Ga(1) bond length is 1.65 Å. The V(1)-Ga(2) bond length is 2.19 Å. Ni(1) is bonded in a 6-coordinate geometry to one V(1), four equivalent Ni(1), and one Ga(2) atom. All Ni(1)-Ni(1) bond lengths are 2.74 Å. The Ni(1)-Ga(2) bond length is 2.95 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 1-coordinate geometry to one V(1) and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.96 Å. In the second Ga site, Ga(2) is bonded in a 2-coordinate geometry to one V(1), one Ni(1), and one Ga(1) atom.