data_[Nd8Ta4V4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3272]
_cell_length_b [13.4729]
_cell_length_c [10.4355]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2TaVN5]
_chemical_formula_sum '[Nd8 Ta4 V4 N20]'
_cell_volume [467.7867]
_cell_formula_units_Z [4]
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  4  0.0000  0.1098  0.6902  1.0
  Nd  Nd1  4  0.0000  0.1426  0.3005  1.0
  Ta  Ta2  4  0.0000  0.2161  0.0130  1.0
  V  V3  4  0.0000  0.4701  0.4562  1.0
  N  N4  4  0.0000  0.0472  0.0380  1.0
  N  N5  4  0.0000  0.2855  0.6473  1.0
  N  N6  4  0.0000  0.3183  0.3848  1.0
  N  N7  4  0.0000  0.3629  0.0017  1.0
  N  N8  4  0.0000  0.4937  0.7921  1.0
]