data_V3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   4.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3Ni
_chemical_formula_sum   'V6 Ni2'
_cell_volume   103.37
_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  0.53  0.3  1.0
  V  V3  1  0.6  0.98  0.1  1.0
  V  V4  1  0.28  0.75  0.3  1.0
  V  V5  1  0.32  0.76  0.1  1.0
  V  V6  1  0.72  0.75  0.3  1.0
  V  V7  1  0.88  0.76  0.1  1.0
  Ni  Ni0  1  0.6  0.5  0.3  1.0
  Ni  Ni1  1  0.0  0.01  0.1  1.0

data_V3Ni
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.4
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   V3Ni
_chemical_formula_sum   'V6 Ni2'
_cell_volume   103.37
_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  0.1  0.42  0.49  1.0
  V  V1  2  0.1  0.7  0.27  1.0
  V  V2  2  0.1  0.98  0.49  1.0
  Ni  Ni3  2  0.1  0.3  0.25  1.0

V V V V V V Ni Ni