data_Zr5N5O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   9.25
_cell_angle_alpha   105.04
_cell_angle_beta   105.04
_cell_angle_gamma   32.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5N5O2
_chemical_formula_sum   'Zr5 N5 O2'
_cell_volume   146.6
_cell_formula_units_Z   1
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  0.2  0.0  0.65  1.0
  Zr  Zr1  1  0.45  0.0  0.15  1.0
  Zr  Zr2  1  0.68  0.0  0.73  1.0
  Zr  Zr3  1  0.89  0.0  0.18  1.0
  Zr  Zr4  1  0.77  0.0  0.42  1.0
  N  N5  1  0.77  0.0  0.83  1.0
  N  N6  1  0.54  0.0  0.95  1.0
  N  N7  1  0.42  0.0  0.29  1.0
  N  N8  1  0.66  0.0  0.56  1.0
  N  N9  1  0.59  0.0  0.9  1.0
  O  O10  1  0.34  0.0  0.31  1.0
  O  O11  1  0.77  0.0  0.52  1.0

data_Zr5N5O2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.51
_cell_length_c   9.25
_cell_angle_alpha   105.04
_cell_angle_beta   90.0
_cell_angle_gamma   106.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5N5O2
_chemical_formula_sum   'Zr5 N5 O2'
_cell_volume   146.6
_cell_formula_units_Z   1
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  0.11  0.82  1.0
  Zr  Zr1  1  0.0  0.23  0.58  1.0
  Zr  Zr2  1  0.0  0.32  0.27  1.0
  Zr  Zr3  1  0.0  0.55  0.85  1.0
  Zr  Zr4  1  0.0  0.8  0.35  1.0
  N  N5  1  0.0  0.23  0.17  1.0
  N  N6  1  0.0  0.34  0.44  1.0
  N  N7  1  0.0  0.41  0.1  1.0
  N  N8  1  0.0  0.46  0.05  1.0
  N  N9  1  0.0  0.58  0.71  1.0
  O  O10  1  0.0  0.23  0.48  1.0
  O  O11  1  0.0  0.66  0.69  1.0

Zr Zr Zr Zr Zr N N N N N O O
Zr Zr Zr Zr Zr N N N N N O O 0 11 - o o 0 8 - o o 0 8 o o o 0 4 - o o 0 0 + - o 0 5 - o o 0 5 o o o 0 2 - o o 0 2 o o o 0 9 o o o 0 6 o o o 1 7 o o o 1 3 o o o 2 5 o o o 3 9 o o - 3 6 o o - 3 7 o o o 3 7 + o o 3 4 o o o 3 10 + o o 4 11 o o o 6 9 o o o 7 10 o o o 8 11 o o o 