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 [Pmma]
_cell_length_a [5.7540]
_cell_length_b [3.9542]
_cell_length_c [5.9027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PrNbN2O]
_chemical_formula_sum '[Pr2 Nb2 N4 O2]'
_cell_volume [134.3008]
_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  2  0.2500  0.5000  0.2099  1
  Nb  Nb1  2  0.2500  0.0000  0.7262  1
  N  N2  2  0.0000  0.0000  0.5000  1
  N  N3  2  0.2500  0.5000  0.8003  1
  O  O4  2  0.0000  0.0000  0.0000  1
]