data_V2NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   153.1
_cell_angle_beta   153.1
_cell_angle_gamma   38.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiN2
_chemical_formula_sum   'V2 Ni1 N2'
_cell_volume   48.07
_cell_formula_units_Z   1
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  V0  1  0.0  0.0  0.77  1.0
  V  V1  1  0.0  0.0  0.89  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  N  N3  1  0.0  0.0  0.86  1.0
  N  N4  1  0.0  0.0  0.8  1.0

data_V2NiN2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   109.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2NiN2
_chemical_formula_sum   'V4 Ni2 N4'
_cell_volume   96.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  '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  2  0.0  0.0  0.11  1.0
  V  V1  2  0.0  0.0  0.23  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  N  N3  2  0.0  0.0  0.14  1.0
  N  N4  2  0.0  0.0  0.2  1.0

V V Ni N N