data_[Pr2Be2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Be  1.5700  1.0500  0.5900
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8984]
_cell_length_b [3.2067]
_cell_length_c [6.9444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8277]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrBeNbN3]
_chemical_formula_sum '[Pr2 Be2 Nb2 N6]'
_cell_volume [147.7943]
_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  0.1940  0.2500  0.2244  1.0
  Be  Be1  2  0.0805  0.2500  0.6018  1.0
  Nb  Nb2  2  0.3378  0.7500  0.8368  1.0
  N  N3  2  0.1204  0.2500  0.8563  1.0
  N  N4  2  0.1702  0.7500  0.5295  1.0
  N  N5  2  0.4487  0.7500  0.1617  1.0
]