data_Zr3N2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   10.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   139.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3N2O3
_chemical_formula_sum   'Zr6 N4 O6'
_cell_volume   236.67
_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
  Zr  Zr0  1  0.01  0.94  0.66  1.0
  Zr  Zr1  1  0.01  0.95  0.86  1.0
  Zr  Zr2  1  0.01  0.4  0.18  1.0
  Zr  Zr3  1  0.01  0.6  0.74  1.0
  Zr  Zr4  1  0.01  0.05  0.31  1.0
  Zr  Zr5  1  0.01  0.06  0.1  1.0
  N  N6  1  0.01  0.91  0.7  1.0
  N  N7  1  0.01  0.77  0.62  1.0
  N  N8  1  0.01  0.23  0.07  1.0
  N  N9  1  0.01  0.09  0.25  1.0
  O  O10  1  0.01  0.93  0.62  1.0
  O  O11  1  0.01  0.91  0.87  1.0
  O  O12  1  0.01  0.22  0.06  1.0
  O  O13  1  0.01  0.78  0.61  1.0
  O  O14  1  0.01  0.09  0.32  1.0
  O  O15  1  0.01  0.07  0.17  1.0

data_Zr3N2O3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.01
_cell_length_b   5.78
_cell_length_c   10.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3N2O3
_chemical_formula_sum   'Zr6 N4 O6'
_cell_volume   236.67
_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
  Zr  Zr0  1  0.05  0.06  0.86  1.0
  Zr  Zr1  1  0.06  0.06  0.66  1.0
  Zr  Zr2  1  0.4  0.41  0.74  1.0
  Zr  Zr3  1  0.6  0.6  0.18  1.0
  Zr  Zr4  1  0.94  0.95  0.1  1.0
  Zr  Zr5  1  0.95  0.95  0.31  1.0
  N  N6  1  0.09  0.1  0.7  1.0
  N  N7  1  0.23  0.23  0.62  1.0
  N  N8  1  0.77  0.78  0.07  1.0
  N  N9  1  0.91  0.91  0.25  1.0
  O  O10  1  0.07  0.07  0.62  1.0
  O  O11  1  0.09  0.09  0.87  1.0
  O  O12  1  0.22  0.23  0.61  1.0
  O  O13  1  0.78  0.78  0.06  1.0
  O  O14  1  0.91  0.92  0.32  1.0
  O  O15  1  0.93  0.94  0.17  1.0

Zr Zr Zr Zr Zr Zr N N N N O O O O O O
Zr Zr Zr Zr Zr Zr N N N N O O O O O O 0 10 o o o 0 6 o o o 1 11 o o o 2 15 o o o 2 12 o o o 2 8 o o o 2 9 o o o 3 13 o o o 3 7 o o o 3 6 o o o 4 14 o o o 4 9 o o o 5 15 o o o 7 13 o o o 8 12 o o o 9 14 o o o 9 15 o o o 