data_[Pr6Nb2N8]
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 [Pmn2_1]
_cell_length_a [8.1330]
_cell_length_b [6.9166]
_cell_length_c [5.3078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3NbN4]
_chemical_formula_sum '[Pr6 Nb2 N8]'
_cell_volume [298.5830]
_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  0.2452  0.6690  0.0634  1.0
  Pr  Pr1  2  0.0000  0.8439  0.5618  1.0
  Nb  Nb2  2  0.0000  0.1778  0.0161  1.0
  N  N3  4  0.2238  0.3063  0.0567  1.0
  N  N4  2  0.0000  0.1792  0.6412  1.0
  N  N5  2  0.0000  0.8856  0.0561  1.0
]