data_[Nb2N2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9085]
_cell_length_b [3.3622]
_cell_length_c [5.3581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbNO]
_chemical_formula_sum '[Nb2 N2 O2]'
_cell_volume [67.3617]
_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  2  0.1410  0.2500  0.7872  1
  N  N1  2  0.2693  0.7500  0.0563  1
  O  O2  2  0.2329  0.7500  0.5710  1
]