# generated using pymatgen
data_NbN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20057726
_cell_length_b   3.20057726
_cell_length_c   6.06570400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbN
_chemical_formula_sum   'Nb2 N2'
_cell_volume   53.81068772
_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
  Nb  Nb0  1  0.33333300  0.66666700  0.48639900  1.0
  Nb  Nb1  1  0.66666700  0.33333300  0.98639900  1.0
  N  N2  1  0.33333300  0.66666700  0.15760100  1.0
  N  N3  1  0.66666700  0.33333300  0.65760100  1.0