data_NbVN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   33.71
_cell_angle_beta   33.71
_cell_angle_gamma   33.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVN2
_chemical_formula_sum   'Nb1 V1 N2'
_cell_volume   39.82
_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
  Nb  Nb0  1  0.0  0.0  0.43  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  N  N2  1  0.0  0.0  0.04  1.0
  N  N3  1  0.0  0.0  0.82  1.0

data_NbVN2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   3.05
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   109.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbVN2
_chemical_formula_sum   'Nb2 V2 N4'
_cell_volume   79.64
_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
  Nb  Nb0  2  0.0  0.0  0.57  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  N  N2  2  0.0  0.0  0.18  1.0
  N  N3  2  0.0  0.0  0.96  1.0

Nb V N N