data_Hf2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   6.46
_cell_length_c   6.98
_cell_angle_alpha   76.72
_cell_angle_beta   89.69
_cell_angle_gamma   89.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2N2O
_chemical_formula_sum   'Hf8 N8 O4'
_cell_volume   237.39
_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  0.86  0.86  0.04  1.0
  Hf  Hf1  1  0.8  0.65  0.04  1.0
  Hf  Hf2  1  0.08  0.64  0.37  1.0
  Hf  Hf3  1  0.18  0.86  0.32  1.0
  Hf  Hf4  1  0.23  0.24  0.18  1.0
  Hf  Hf5  1  0.13  0.02  0.08  1.0
  Hf  Hf6  1  0.72  0.87  0.9  1.0
  Hf  Hf7  1  0.52  0.63  0.09  1.0
  N  N8  1  0.33  0.26  0.22  1.0
  N  N9  1  0.29  0.02  0.33  1.0
  N  N10  1  0.03  0.25  0.13  1.0
  N  N11  1  0.01  0.02  0.07  1.0
  N  N12  1  0.88  0.83  0.56  1.0
  N  N13  1  0.26  0.6  0.34  1.0
  N  N14  1  0.02  0.54  0.88  1.0
  N  N15  1  0.97  0.18  0.89  1.0
  O  O16  1  0.02  0.67  0.35  1.0
  O  O17  1  0.18  0.89  0.36  1.0
  O  O18  1  0.34  0.82  0.03  1.0
  O  O19  1  0.3  0.3  0.75  1.0

data_Hf2N2O
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.41
_cell_length_b   6.46
_cell_length_c   6.98
_cell_angle_alpha   76.72
_cell_angle_beta   89.69
_cell_angle_gamma   89.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2N2O
_chemical_formula_sum   'Hf8 N8 O4'
_cell_volume   237.39
_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  0.08  0.64  0.37  1.0
  Hf  Hf1  1  0.13  0.02  0.08  1.0
  Hf  Hf2  1  0.18  0.86  0.32  1.0
  Hf  Hf3  1  0.23  0.24  0.18  1.0
  Hf  Hf4  1  0.52  0.63  0.09  1.0
  Hf  Hf5  1  0.72  0.87  0.9  1.0
  Hf  Hf6  1  0.8  0.65  0.04  1.0
  Hf  Hf7  1  0.86  0.86  0.04  1.0
  N  N8  1  0.01  0.02  0.07  1.0
  N  N9  1  0.02  0.54  0.88  1.0
  N  N10  1  0.03  0.25  0.13  1.0
  N  N11  1  0.26  0.6  0.34  1.0
  N  N12  1  0.29  0.02  0.33  1.0
  N  N13  1  0.33  0.26  0.22  1.0
  N  N14  1  0.88  0.83  0.56  1.0
  N  N15  1  0.97  0.18  0.89  1.0
  O  O16  1  0.02  0.67  0.35  1.0
  O  O17  1  0.18  0.89  0.36  1.0
  O  O18  1  0.3  0.3  0.75  1.0
  O  O19  1  0.34  0.82  0.03  1.0

Hf Hf Hf Hf Hf Hf Hf Hf N N N N N N N N O O O O
Hf Hf Hf Hf Hf Hf Hf Hf N N N N N N N N O O O O 0 1 o o o 0 6 o o - 0 11 + + o 1 7 o o o 1 6 o o - 1 14 + o - 2 16 o o o 2 12 - o o 2 13 o o o 3 17 o o o 3 9 o + o 3 12 - o o 4 8 o o o 4 10 o o o 5 11 o o o 5 15 - o - 5 18 o - o 6 12 o o o 7 18 o o o 9 17 o - o 10 14 o o - 11 15 - o - 12 16 + o o 12 17 + o o 14 19 o o o 15 19 + o o 