data_[Hf2Pa2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Pa  1.5000  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 [6.8885]
_cell_length_b [3.1506]
_cell_length_c [8.1434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfPaNbN3]
_chemical_formula_sum '[Hf2 Pa2 Nb2 N6]'
_cell_volume [176.4010]
_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
[
  Hf  Hf0  2  0.3701  0.2500  0.8620  1
  Pa  Pa1  2  0.1415  0.7500  0.1734  1
  Nb  Nb2  2  0.1548  0.7500  0.5793  1
  N  N3  2  0.1431  0.7500  0.8661  1
  N  N4  2  0.1558  0.2500  0.3961  1
  N  N5  2  0.3986  0.2500  0.1264  1
]