data_[Nd8Ta4Nb4N20]
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
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3888]
_cell_length_b [13.5319]
_cell_length_c [10.7046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2TaNbN5]
_chemical_formula_sum '[Nd8 Ta4 Nb4 N20]'
_cell_volume [490.8891]
_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  0.1070  0.6908  1.0
  Nd  Nd1  4  0.0000  0.1462  0.2887  1.0
  Ta  Ta2  4  0.0000  0.2239  0.0129  1.0
  Nb  Nb3  4  0.0000  0.4698  0.4609  1.0
  N  N4  4  0.0000  0.0555  0.0535  1.0
  N  N5  4  0.0000  0.2794  0.6425  1.0
  N  N6  4  0.0000  0.3148  0.3866  1.0
  N  N7  4  0.0000  0.3696  0.0026  1.0
  N  N8  4  0.0000  0.4922  0.7855  1.0
]