data_V2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.44
_cell_angle_alpha   101.74
_cell_angle_beta   101.74
_cell_angle_gamma   117.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2Ni
_chemical_formula_sum   'V4 Ni2'
_cell_volume   75.9
_cell_formula_units_Z   2
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  0.06  0.12  0.06  1.0
  V  V3  1  0.93  0.47  0.02  1.0
  V  V4  1  0.06  0.53  0.06  1.0
  V  V5  1  0.93  0.88  0.02  1.0
  Ni  Ni0  1  0.06  0.79  0.06  1.0
  Ni  Ni1  1  0.93  0.21  0.02  1.0

data_V2Ni
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.44
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   117.73
_cell_angle_beta   101.74
_cell_angle_gamma   101.74
_symmetry_Int_Tables_number   2
_chemical_formula_structural   V2Ni
_chemical_formula_sum   'V4 Ni2'
_cell_volume   75.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  V0  2  0.02  0.56  0.12  1.0
  V  V1  2  0.02  0.56  0.53  1.0
  Ni  Ni2  2  0.02  0.56  0.79  1.0

V V V V Ni Ni
V V V V Ni Ni 0 3 - - o 0 5 - o o 1 2 + o o 3 4 + o o 