data_[Pr2Nb2N4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [P1]
_cell_length_a [5.5769]
_cell_length_b [5.6462]
_cell_length_c [6.0593]
_cell_angle_alpha [62.2575]
_cell_angle_beta [88.9414]
_cell_angle_gamma [60.5712]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PrNbN2O]
_chemical_formula_sum '[Pr2 Nb2 N4 O2]'
_cell_volume [141.4997]
_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
[
  Pr  Pr0  1  0.3560  0.2595  0.1107  1
  Pr  Pr1  1  0.6225  0.7420  0.8882  1
  Nb  Nb2  1  0.1288  0.7425  0.4397  1
  Nb  Nb3  1  0.8561  0.2983  0.5594  1
  N  N4  1  0.1794  0.8356  0.7241  1
  N  N5  1  0.4443  0.7333  0.2798  1
  N  N6  1  0.8152  0.1759  0.2475  1
  N  N7  1  0.9955  0.4422  0.7304  1
  O  O8  1  0.0156  0.5469  0.2634  1
  O  O9  1  0.5865  0.2240  0.7569  1
]