data_[Tb2Y2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  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 [5.7762]
_cell_length_b [3.3466]
_cell_length_c [8.6562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbYNbN3]
_chemical_formula_sum '[Tb2 Y2 Nb2 N6]'
_cell_volume [163.0853]
_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
[
  Tb  Tb0  2  0.3470  0.2500  0.3132  1.0
  Y  Y1  2  0.2304  0.7500  0.9520  1.0
  Nb  Nb2  2  0.1359  0.2500  0.6343  1.0
  N  N3  2  0.0474  0.7500  0.1735  1.0
  N  N4  2  0.2503  0.7500  0.5131  1.0
  N  N5  2  0.4394  0.2500  0.8181  1.0
]