data_[Hf8U4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5671]
_cell_length_b [4.6593]
_cell_length_c [9.8497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Hf2UN3]
_chemical_formula_sum '[Hf8 U4 N12]'
_cell_volume [301.3842]
_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
[
  Hf  Hf0  4  0.1193  0.7500  0.7461  1
  Hf  Hf1  4  0.1246  0.7500  0.4160  1
  U  U2  4  0.1266  0.7500  0.0822  1
  N  N3  4  0.1227  0.2500  0.4151  1
  N  N4  4  0.1253  0.2500  0.7495  1
  N  N5  4  0.1352  0.2500  0.0883  1
]