data_Hf2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   10.32
_cell_angle_alpha   106.08
_cell_angle_beta   106.08
_cell_angle_gamma   59.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2N2O
_chemical_formula_sum   'Hf8 N8 O4'
_cell_volume   253.79
_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  1  0.76  0.35  0.77  1.0
  Hf  Hf1  1  0.71  0.37  0.86  1.0
  Hf  Hf2  1  0.55  0.37  0.92  1.0
  Hf  Hf3  1  0.08  0.12  0.33  1.0
  Hf  Hf4  1  0.5  0.35  0.01  1.0
  Hf  Hf5  1  0.18  0.12  0.45  1.0
  Hf  Hf6  1  0.47  0.34  0.21  1.0
  Hf  Hf7  1  0.79  0.34  0.57  1.0
  N  N8  1  0.78  0.07  0.94  1.0
  N  N9  1  0.28  0.48  0.4  1.0
  N  N10  1  0.98  0.48  0.38  1.0
  N  N11  1  0.48  0.07  0.84  1.0
  N  N12  1  0.17  0.13  0.02  1.0
  N  N13  1  0.72  0.9  0.32  1.0
  N  N14  1  0.54  0.9  0.46  1.0
  N  N15  1  0.09  0.13  0.76  1.0
  O  O16  1  0.41  0.17  0.25  1.0
  O  O17  1  0.13  0.29  0.89  1.0
  O  O18  1  0.77  0.64  0.0  1.0
  O  O19  1  0.85  0.17  0.53  1.0

data_Hf2N2O
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.44
_cell_length_b   5.49
_cell_length_c   10.26
_cell_angle_alpha   75.11
_cell_angle_beta   74.64
_cell_angle_gamma   60.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2N2O
_chemical_formula_sum   'Hf8 N8 O4'
_cell_volume   253.79
_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  1  0.63  0.23  0.86  1.0
  Hf  Hf1  1  0.63  0.99  0.92  1.0
  Hf  Hf2  1  0.65  0.34  0.77  1.0
  Hf  Hf3  1  0.65  0.84  0.01  1.0
  Hf  Hf4  1  0.66  0.56  0.57  1.0
  Hf  Hf5  1  0.66  0.6  0.21  1.0
  Hf  Hf6  1  0.88  0.85  0.45  1.0
  Hf  Hf7  1  0.88  0.87  0.33  1.0
  N  N8  1  0.1  0.3  0.32  1.0
  N  N9  1  0.1  0.98  0.46  1.0
  N  N10  1  0.52  0.09  0.38  1.0
  N  N11  1  0.52  0.36  0.4  1.0
  N  N12  1  0.87  0.28  0.02  1.0
  N  N13  1  0.87  0.47  0.76  1.0
  N  N14  1  0.93  0.71  0.84  1.0
  N  N15  1  0.93  0.91  0.94  1.0
  O  O16  1  0.36  0.42  -0.0  1.0
  O  O17  1  0.71  0.53  0.89  1.0
  O  O18  1  0.83  0.33  0.25  1.0
  O  O19  1  0.83  0.49  0.53  1.0

Hf Hf Hf Hf Hf Hf Hf Hf N N N N N N N N O O O O