data_NbN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   11.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbN
_chemical_formula_sum   'Nb4 N4'
_cell_volume   87.26
_cell_formula_units_Z   4
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  Nb4  1  0.0  0.72  0.4  1.0
  Nb  Nb5  1  0.0  0.72  0.28  1.0
  Nb  Nb6  1  0.49  0.86  0.08  1.0
  Nb  Nb7  1  0.49  0.86  0.95  1.0
  N  N0  1  0.0  0.0  0.0  1.0
  N  N1  1  0.0  0.0  0.84  1.0
  N  N2  1  0.0  0.0  0.68  1.0
  N  N3  1  0.0  0.0  0.52  1.0

data_NbN
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   11.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbN
_chemical_formula_sum   'Nb4 N4'
_cell_volume   87.26
_cell_formula_units_Z   4
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  0.72  0.28  1.0
  Nb  Nb1  1  -0.0  0.72  0.4  1.0
  Nb  Nb2  1  0.49  0.86  0.08  1.0
  Nb  Nb3  1  0.49  0.86  0.95  1.0
  N  N4  1  0.0  0.0  0.0  1.0
  N  N5  1  0.0  0.0  0.52  1.0
  N  N6  1  0.0  0.0  0.68  1.0
  N  N7  1  0.0  0.0  0.84  1.0

Nb Nb Nb Nb N N N N