data_[Nd2V2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9544]
_cell_length_b [5.9468]
_cell_length_c [6.3691]
_cell_angle_alpha [111.0504]
_cell_angle_beta [101.3763]
_cell_angle_gamma [90.5829]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NdVN3]
_chemical_formula_sum '[Nd2 V2 N6]'
_cell_volume [136.4951]
_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  0.1540  0.3091  0.7344  1.0
  V  V1  2  0.3044  0.1243  0.1551  1.0
  N  N2  2  0.2011  0.9375  0.8363  1.0
  N  N3  2  0.3068  0.4240  0.1697  1.0
  N  N4  2  0.3661  0.0004  0.4174  1.0
]