data_VNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi
_chemical_formula_sum   'V2 Ni2'
_cell_volume   48.65
_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  0.48  0.07  1.0
  V  V3  1  0.28  0.74  0.44  1.0
  Ni  Ni0  1  0.0  0.48  0.48  1.0
  Ni  Ni1  1  0.28  0.74  0.03  1.0

data_VNi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VNi
_chemical_formula_sum   'V2 Ni2'
_cell_volume   48.65
_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  0.14  0.63  0.19  1.0
  Ni  Ni1  2  0.14  0.63  0.77  1.0

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