data_[Nd2Be2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [6.8599]
_cell_length_b [3.1941]
_cell_length_c [6.9079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdBeNbN3]
_chemical_formula_sum '[Nd2 Be2 Nb2 N6]'
_cell_volume [145.9121]
_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
[
  Nd  Nd0  2  0.1920  0.2500  0.2225  1.0
  Be  Be1  2  0.0810  0.2500  0.6013  1.0
  Nb  Nb2  2  0.3384  0.7500  0.8359  1.0
  N  N3  2  0.1192  0.2500  0.8565  1.0
  N  N4  2  0.1711  0.7500  0.5278  1.0
  N  N5  2  0.4460  0.7500  0.1619  1.0
]