data_[Nd2Ta2Nb2N6]
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 [P2_1/m]
_cell_length_a [5.6858]
_cell_length_b [3.2141]
_cell_length_c [8.4941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdTaNbN3]
_chemical_formula_sum '[Nd2 Ta2 Nb2 N6]'
_cell_volume [151.3160]
_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  0.3572  0.2500  0.3074  1.0
  Ta  Ta1  2  0.2334  0.7500  0.9504  1.0
  Nb  Nb2  2  0.1189  0.2500  0.6379  1.0
  N  N3  2  0.0327  0.7500  0.1418  1.0
  N  N4  2  0.2522  0.7500  0.5099  1.0
  N  N5  2  0.4373  0.2500  0.8569  1.0
]