data_VNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   7.2
_cell_angle_alpha   114.06
_cell_angle_beta   114.06
_cell_angle_gamma   46.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VNi3
_chemical_formula_sum   'V2 Ni6'
_cell_volume   89.96
_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  V6  1  0.97  0.0  0.94  1.0
  V  V7  1  0.84  0.0  0.51  1.0
  Ni  Ni0  1  0.42  0.0  0.24  1.0
  Ni  Ni1  1  0.0  0.0  0.04  1.0
  Ni  Ni2  1  0.81  0.0  0.41  1.0
  Ni  Ni3  1  0.4  0.0  0.21  1.0
  Ni  Ni4  1  0.58  0.0  0.83  1.0
  Ni  Ni5  1  0.23  0.0  0.62  1.0

data_VNi3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.48
_cell_length_b   4.37
_cell_length_c   6.73
_cell_angle_alpha   77.7
_cell_angle_beta   75.01
_cell_angle_gamma   66.51
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VNi3
_chemical_formula_sum   'V2 Ni6'
_cell_volume   89.96
_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  0.0  0.15  0.29  1.0
  Ni  Ni1  2  0.0  0.0  0.99  1.0
  Ni  Ni2  2  0.0  0.22  0.18  1.0
  Ni  Ni3  2  0.0  0.43  0.39  1.0

V V Ni Ni Ni Ni Ni Ni
V V Ni Ni Ni Ni Ni Ni 0 3 + o + 0 6 o o o 1 4 o o o 1 7 + o o 2 5 o o o 3 6 - o - 4 7 + o o 6 7 o o o 