data_[Hf2Th2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Th  1.3000  1.8000  1.0800
  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 [6.9492]
_cell_length_b [3.2375]
_cell_length_c [8.3860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfThNbN3]
_chemical_formula_sum '[Hf2 Th2 Nb2 N6]'
_cell_volume [186.5983]
_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
[
  Th  Th0  2  0.1574  0.7500  0.1875  1
  Hf  Hf1  2  0.3550  0.2500  0.8716  1
  Nb  Nb2  2  0.1396  0.7500  0.5782  1
  N  N3  2  0.1363  0.7500  0.8661  1
  N  N4  2  0.1770  0.2500  0.4124  1
  N  N5  2  0.4207  0.2500  0.1272  1
]