data_[Hf8Ti16Cd12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  Cd  1.6900  1.5500  1.0900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4281]
_cell_length_b [5.4432]
_cell_length_c [14.4866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2Ti4(CdN)3]
_chemical_formula_sum '[Hf8 Ti16 Cd12 N12]'
_cell_volume [725.8693]
_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  0.0533  0.4170  0.9106  1
  Ti  Ti1  8  0.1083  0.0831  0.0746  1
  Ti  Ti2  8  0.2250  0.0832  0.4254  1
  Cd  Cd3  8  0.1918  0.3908  0.2498  1
  Cd  Cd4  4  0.0000  0.0336  0.7500  1
  N  N5  8  0.0826  0.2521  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]