data_[Hf12N4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6147]
_cell_length_b [5.9499]
_cell_length_c [10.1516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.6940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf6N2O]
_chemical_formula_sum '[Hf12 N4 O2]'
_cell_volume [294.6025]
_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  4  0.0752  0.0451  0.2490  1
  Hf  Hf1  4  0.2283  0.6794  0.0688  1
  Hf  Hf2  4  0.4065  0.1881  0.0854  1
  N  N3  4  0.1355  0.1379  0.6481  1
  O  O4  2  0.5000  0.0000  0.5000  1
]