data_[Hf24C12N9O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.5023]
_cell_length_b [6.5023]
_cell_length_c [15.9526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Hf8C4N3O]
_chemical_formula_sum '[Hf24 C12 N9 O3]'
_cell_volume [584.1150]
_cell_formula_units_Z [3]
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  18  0.0066  0.5033  0.7470  1.0
  Hf  Hf1  6  0.0000  0.0000  0.2512  1.0
  C  C2  9  0.0000  0.5000  0.0000  1.0
  C  C3  3  0.0000  0.0000  0.0000  1.0
  N  N4  9  0.0000  0.5000  0.5000  1.0
  O  O5  3  -0.0000  -0.0000  0.5000  1.0
]