data_[Sc1Nb1N2O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  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 [Pm]
_cell_length_a [3.9509]
_cell_length_b [3.4914]
_cell_length_c [5.1463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ScNbN2O]
_chemical_formula_sum '[Sc1 Nb1 N2 O1]'
_cell_volume [68.9162]
_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
[
  Sc  Sc0  1  0.8760  0.5000  0.1773  1
  Nb  Nb1  1  0.5277  0.0000  0.5581  1
  N  N2  1  0.6762  0.0000  0.9260  1
  N  N3  1  0.9852  0.0000  0.4574  1
  O  O4  1  0.4360  0.5000  0.3417  1
]