data_VNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67
_cell_length_b   8.67
_cell_length_c   8.67
_cell_angle_alpha   16.99
_cell_angle_beta   16.99
_cell_angle_gamma   16.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi
_chemical_formula_sum   'V2 Ni2'
_cell_volume   48.52
_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  0.0  0.0  0.09  1.0
  V  V3  1  0.0  0.0  0.54  1.0
  Ni  Ni0  1  0.0  0.0  0.05  1.0
  Ni  Ni1  1  0.0  0.0  0.58  1.0

data_VNi
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.44
_cell_length_b   2.56
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   99.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   VNi
_chemical_formula_sum   'V4 Ni4'
_cell_volume   97.04
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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  4  -0.0  0.0  0.28  1.0
  Ni  Ni1  4  -0.0  0.0  0.24  1.0

V V Ni Ni
V V Ni Ni 0 2 o o o 1 3 o o o 