data_NOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   4.1
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NOF
_chemical_formula_sum   'N4 O4 F4'
_cell_volume   145.23
_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
  N  N4  1  0.17  0.02  0.62  1.0
  N  N5  1  0.6  0.07  0.51  1.0
  N  N6  1  0.48  0.07  0.91  1.0
  N  N7  1  0.28  0.02  0.8  1.0
  O  O8  1  0.17  0.19  0.14  1.0
  O  O9  1  0.59  0.24  0.99  1.0
  O  O10  1  0.47  0.9  0.43  1.0
  O  O11  1  0.29  0.85  0.28  1.0
  F  F0  1  0.68  0.56  0.91  1.0
  F  F1  1  0.09  0.51  0.22  1.0
  F  F2  1  0.97  0.54  0.2  1.0
  F  F3  1  0.8  0.59  0.51  1.0

data_NOF
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.1
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NOF
_chemical_formula_sum   'N4 O4 F4'
_cell_volume   145.23
_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
  N  N0  1  0.17  0.02  0.62  1.0
  N  N1  1  0.28  0.02  0.8  1.0
  N  N2  1  0.48  0.07  0.91  1.0
  N  N3  1  0.6  0.07  0.51  1.0
  O  O4  1  0.17  0.19  0.14  1.0
  O  O5  1  0.29  0.85  0.28  1.0
  O  O6  1  0.47  0.9  0.43  1.0
  O  O7  1  0.59  0.24  0.99  1.0
  F  F8  1  0.09  0.51  0.22  1.0
  F  F9  1  0.68  0.56  0.91  1.0
  F  F10  1  0.8  0.59  0.51  1.0
  F  F11  1  0.97  0.54  0.2  1.0

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