# generated using pymatgen
data_Nb3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44016800
_cell_length_b   5.30040000
_cell_length_c   9.86545734
_cell_angle_alpha   62.03620830
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3N
_chemical_formula_sum   'Nb12 N4'
_cell_volume   251.25743701
_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  0.94224900  0.31023300  0.86236800  1.0
  Nb  Nb1  1  0.05775100  0.31023300  0.36236800  1.0
  Nb  Nb2  1  0.44240400  0.21879100  0.89428200  1.0
  Nb  Nb3  1  0.55759600  0.21879100  0.39428200  1.0
  Nb  Nb4  1  0.15884300  0.66603000  0.00769200  1.0
  Nb  Nb5  1  0.84115700  0.66603000  0.50769200  1.0
  Nb  Nb6  1  0.32417300  0.40348500  0.59559700  1.0
  Nb  Nb7  1  0.67582700  0.40348500  0.09559700  1.0
  Nb  Nb8  1  0.81121800  0.95388900  0.70740100  1.0
  Nb  Nb9  1  0.18878200  0.95388900  0.20740100  1.0
  Nb  Nb10  1  0.30641900  0.82849700  0.67794600  1.0
  Nb  Nb11  1  0.69358100  0.82849700  0.17794600  1.0
  N  N12  1  0.16013100  0.04754200  0.79577200  1.0
  N  N13  1  0.83986900  0.04754200  0.29577200  1.0
  N  N14  1  0.36778500  0.57153700  0.20894600  1.0
  N  N15  1  0.63221500  0.57153700  0.70894600  1.0