data_[Hf16Nb8Cu12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3755]
_cell_length_b [5.3847]
_cell_length_c [13.9939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Nb2(CuN)3]
_chemical_formula_sum '[Hf16 Nb8 Cu12 N12]'
_cell_volume [687.6062]
_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  8  0.1121  0.0909  0.5884  1
  Hf  Hf1  8  0.2236  0.0821  0.9115  1
  Nb  Nb2  8  0.0417  0.4173  0.3800  1
  Cu  Cu3  8  0.2386  0.3472  0.7506  1
  Cu  Cu4  4  0.0000  0.0656  0.7500  1
  N  N5  8  0.0815  0.2557  0.0002  1
  N  N6  4  0.2500  0.2500  0.5000  1
]