data_[Pr8Ti4Nb4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3724]
_cell_length_b [13.5696]
_cell_length_c [10.6448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2TiNbN5]
_chemical_formula_sum '[Pr8 Ti4 Nb4 N20]'
_cell_volume [487.1345]
_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
[
  Pr  Pr0  4  0.0000  0.1054  0.6891  1.0
  Pr  Pr1  4  0.0000  0.1395  0.2923  1.0
  Ti  Ti2  4  0.0000  0.4698  0.4612  1.0
  Nb  Nb3  4  0.0000  0.2202  0.0088  1.0
  N  N4  4  0.0000  0.0539  0.0456  1.0
  N  N5  4  0.0000  0.2797  0.6486  1.0
  N  N6  4  0.0000  0.3136  0.3922  1.0
  N  N7  4  0.0000  0.3672  0.9977  1.0
  N  N8  4  0.0000  0.4968  0.7886  1.0
]