data_Zr2N2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   12.16
_cell_angle_alpha   116.67
_cell_angle_beta   116.67
_cell_angle_gamma   30.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2N2O
_chemical_formula_sum   'Zr8 N8 O4'
_cell_volume   245.69
_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
  Zr  Zr0  1  0.82  0.0  0.76  1.0
  Zr  Zr1  1  0.04  0.0  0.54  1.0
  Zr  Zr2  1  0.37  0.0  0.61  1.0
  Zr  Zr3  1  0.85  0.0  0.07  1.0
  Zr  Zr4  1  0.35  0.0  0.34  1.0
  Zr  Zr5  1  0.59  0.0  0.56  1.0
  Zr  Zr6  1  0.04  0.0  0.28  1.0
  Zr  Zr7  1  0.48  0.0  0.93  1.0
  N  N8  1  0.04  0.0  0.48  1.0
  N  N9  1  0.11  0.0  0.13  1.0
  N  N10  1  0.51  0.0  0.73  1.0
  N  N11  1  0.35  0.0  0.57  1.0
  N  N12  1  0.12  0.0  0.38  1.0
  N  N13  1  0.81  0.0  0.79  1.0
  N  N14  1  0.25  0.0  0.04  1.0
  N  N15  1  0.35  0.0  0.72  1.0
  O  O16  1  0.52  0.0  0.03  1.0
  O  O17  1  0.09  0.0  0.72  1.0
  O  O18  1  0.78  0.0  0.01  1.0
  O  O19  1  0.4  0.0  0.34  1.0

data_Zr2N2O
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   6.74
_cell_length_c   10.94
_cell_angle_alpha   83.26
_cell_angle_beta   80.78
_cell_angle_gamma   74.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2N2O
_chemical_formula_sum   'Zr8 N8 O4'
_cell_volume   245.69
_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
  Zr  Zr0  1  0.0  0.0  0.34  1.0
  Zr  Zr1  1  0.0  0.03  0.56  1.0
  Zr  Zr2  1  0.0  0.06  0.76  1.0
  Zr  Zr3  1  0.0  0.5  0.54  1.0
  Zr  Zr4  1  0.0  0.54  0.93  1.0
  Zr  Zr5  1  0.0  0.76  0.61  1.0
  Zr  Zr6  1  0.0  0.76  0.28  1.0
  Zr  Zr7  1  0.0  0.78  0.07  1.0
  N  N8  1  0.0  0.02  0.79  1.0
  N  N9  1  0.0  0.21  0.04  1.0
  N  N10  1  0.0  0.56  0.48  1.0
  N  N11  1  0.0  0.63  0.72  1.0
  N  N12  1  0.0  0.74  0.38  1.0
  N  N13  1  0.0  0.78  0.57  1.0
  N  N14  1  0.0  0.78  0.73  1.0
  N  N15  1  0.0  0.98  0.13  1.0
  O  O16  1  0.0  0.06  0.34  1.0
  O  O17  1  0.0  0.37  0.72  1.0
  O  O18  1  0.0  0.49  0.03  1.0
  O  O19  1  0.0  0.77  0.01  1.0

Zr Zr Zr Zr Zr Zr Zr Zr N N N N N N N N O O O O