data_[Pr10Nb2N12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2061]
_cell_length_b [10.7334]
_cell_length_c [6.1781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4875]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5NbN6]
_chemical_formula_sum '[Pr10 Nb2 N12]'
_cell_volume [387.9633]
_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  4  0.0000  0.1643  0.5000  1.0
  Pr  Pr1  4  0.0000  0.3329  0.0000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Nb  Nb3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2235  0.1484  0.2239  1.0
  N  N5  4  0.2242  0.0000  0.7657  1.0
]