data_H4NF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   70.84
_cell_angle_beta   70.84
_cell_angle_gamma   70.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H4NF
_chemical_formula_sum   'H32 N8 F8'
_cell_volume   348.03
_cell_formula_units_Z   8
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
  H  H0  1  0.0  0.0  0.22  1.0
  H  H1  1  0.0  0.0  0.45  1.0
  H  H2  1  0.3  0.31  0.65  1.0
  H  H3  1  0.94  0.74  0.65  1.0
  H  H4  1  0.75  0.94  0.65  1.0
  H  H5  1  0.06  0.74  0.88  1.0
  H  H6  1  0.7  0.31  0.88  1.0
  H  H7  1  0.25  0.94  0.88  1.0
  H  H8  1  0.6  0.29  0.74  1.0
  H  H9  1  0.22  0.51  0.74  1.0
  H  H10  1  0.18  0.2  0.74  1.0
  H  H11  1  0.5  0.98  0.99  1.0
  H  H12  1  0.4  0.35  0.99  1.0
  H  H13  1  0.1  0.67  0.99  1.0
  H  H14  1  0.27  0.05  0.02  1.0
  H  H15  1  0.59  0.07  0.02  1.0
  H  H16  1  0.14  0.87  0.02  1.0
  H  H17  1  0.13  0.54  0.28  1.0
  H  H18  1  0.73  0.11  0.28  1.0
  H  H19  1  0.14  0.34  0.28  1.0
  H  H20  1  0.47  0.56  0.4  1.0
  H  H21  1  0.68  0.63  0.4  1.0
  H  H22  1  0.85  0.81  0.4  1.0
  H  H23  1  0.04  0.1  0.66  1.0
  H  H24  1  0.53  0.62  0.66  1.0
  H  H25  1  0.43  0.28  0.66  1.0
  H  H26  1  0.83  0.07  0.78  1.0
  H  H27  1  0.93  0.19  0.78  1.0
  H  H28  1  0.24  0.75  0.78  1.0
  H  H29  1  0.79  0.66  0.04  1.0
  H  H30  1  0.17  0.13  0.04  1.0
  H  H31  1  0.04  0.22  0.04  1.0
  N  N32  1  0.0  0.0  0.26  1.0
  N  N33  1  0.0  0.0  0.49  1.0
  N  N34  1  0.54  0.75  0.74  1.0
  N  N35  1  0.35  0.1  0.74  1.0
  N  N36  1  0.11  0.16  0.74  1.0
  N  N37  1  0.37  0.57  1.0  1.0
  N  N38  1  0.46  0.81  1.0  1.0
  N  N39  1  0.17  0.63  1.0  1.0
  F  F40  1  0.0  0.0  0.32  1.0
  F  F41  1  0.0  0.0  0.55  1.0
  F  F42  1  0.3  0.41  0.6  1.0
  F  F43  1  0.23  0.32  0.6  1.0
  F  F44  1  0.47  0.27  0.6  1.0
  F  F45  1  0.05  0.85  0.35  1.0
  F  F46  1  0.7  0.35  0.35  1.0
  F  F47  1  0.25  0.8  0.35  1.0

data_H4NF
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   70.84
_cell_angle_beta   70.84
_cell_angle_gamma   70.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H4NF
_chemical_formula_sum   'H32 N8 F8'
_cell_volume   348.03
_cell_formula_units_Z   8
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
  H  H0  1  0.0  0.0  0.55  1.0
  H  H1  1  0.0  0.0  0.78  1.0
  H  H2  1  0.02  0.5  0.01  1.0
  H  H3  1  0.06  0.25  0.35  1.0
  H  H4  1  0.06  0.75  0.12  1.0
  H  H5  1  0.13  0.86  0.98  1.0
  H  H6  1  0.19  0.15  0.6  1.0
  H  H7  1  0.25  0.76  0.22  1.0
  H  H8  1  0.26  0.06  0.35  1.0
  H  H9  1  0.26  0.94  0.12  1.0
  H  H10  1  0.33  0.9  0.01  1.0
  H  H11  1  0.34  0.21  0.96  1.0
  H  H12  1  0.37  0.32  0.6  1.0
  H  H13  1  0.38  0.47  0.34  1.0
  H  H14  1  0.44  0.53  0.6  1.0
  H  H15  1  0.46  0.87  0.72  1.0
  H  H16  1  0.49  0.78  0.26  1.0
  H  H17  1  0.65  0.6  0.01  1.0
  H  H18  1  0.66  0.86  0.72  1.0
  H  H19  1  0.69  0.3  0.12  1.0
  H  H20  1  0.69  0.7  0.35  1.0
  H  H21  1  0.71  0.4  0.26  1.0
  H  H22  1  0.72  0.57  0.34  1.0
  H  H23  1  0.78  0.96  0.96  1.0
  H  H24  1  0.8  0.82  0.26  1.0
  H  H25  1  0.81  0.07  0.22  1.0
  H  H26  1  0.87  0.83  0.96  1.0
  H  H27  1  0.89  0.27  0.72  1.0
  H  H28  1  0.9  0.96  0.34  1.0
  H  H29  1  0.93  0.41  0.98  1.0
  H  H30  1  0.93  0.17  0.22  1.0
  H  H31  1  0.95  0.73  0.98  1.0
  N  N32  1  0.0  0.0  0.51  1.0
  N  N33  1  0.0  0.0  0.74  1.0
  N  N34  1  0.19  0.54  0.0  1.0
  N  N35  1  0.25  0.46  0.26  1.0
  N  N36  1  0.37  0.83  0.0  1.0
  N  N37  1  0.43  0.63  0.0  1.0
  N  N38  1  0.84  0.89  0.26  1.0
  N  N39  1  0.9  0.65  0.26  1.0
  F  F40  1  0.0  0.0  0.45  1.0
  F  F41  1  0.0  0.0  0.68  1.0
  F  F42  1  0.15  0.95  0.65  1.0
  F  F43  1  0.2  0.75  0.65  1.0
  F  F44  1  0.59  0.7  0.4  1.0
  F  F45  1  0.65  0.3  0.65  1.0
  F  F46  1  0.68  0.77  0.4  1.0
  F  F47  1  0.73  0.53  0.4  1.0

H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H N N N N N N N N F F F F F F F F
H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H N N N N N N N N F F F F F F F F 0 32 o o o 0 18 - o o 0 22 - - o 0 45 o - o 1 33 o o o 1 3 - - o 1 4 - - o 2 43 o o o 2 42 o o o 2 35 o o o 3 22 o o o 3 4 o o o 3 33 + + o 3 45 + o o 3 41 + + o 3 5 + o o 3 29 o o + 4 41 + + o 4 33 + + o 4 26 o + o 5 13 o o o 5 28 o o o 5 29 - o + 6 8 o o o 6 27 o o o 7 16 o o + 7 35 o + o 8 44 o o o 8 25 o o o 9 42 o o o 10 36 o o o 10 35 o o o 11 15 o + + 11 29 o o + 11 38 o o o 12 37 o o o 13 39 o o o 13 28 o o o 13 29 - o + 14 30 o o o 17 19 o o o 18 40 + o o 18 32 + o o 18 22 o - o 18 46 o o o 20 44 o o o 20 42 o o o 20 47 o o o 20 46 o o o 20 21 o o o 21 24 o o o 21 22 o o o 21 29 o o o 21 46 o o o 22 32 + + o 22 40 + + o 22 45 + o o 23 27 - o o 23 36 o o o 24 34 o o o 25 44 o o o 25 35 o o o 26 27 o o o 27 36 + o o 28 39 o o o 29 46 o o o 29 38 o o - 29 39 + o - 30 31 o o o 32 40 o o o 32 45 o - o 33 41 o o o 37 39 o o o 40 45 o - o 44 46 o o o 45 47 o o o 