data_CuH6C2N(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.19
_cell_length_b   11.19
_cell_length_c   6.71
_cell_angle_alpha   97.25
_cell_angle_beta   97.25
_cell_angle_gamma   39.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuH6C2N(OF)2
_chemical_formula_sum   'Cu4 H24 C8 N4 O8 F8'
_cell_volume   530.56
_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
  Cu  Cu0  1  0.14  0.9  0.2  1.0
  Cu  Cu1  1  0.58  0.9  0.77  1.0
  Cu  Cu2  1  0.03  0.1  0.44  1.0
  Cu  Cu3  1  0.59  0.1  0.88  1.0
  H  H4  1  0.07  0.71  0.02  1.0
  H  H5  1  0.54  0.71  0.31  1.0
  H  H6  1  0.09  0.29  0.63  1.0
  H  H7  1  0.62  0.29  0.34  1.0
  H  H8  1  0.14  0.11  0.03  1.0
  H  H9  1  0.48  0.11  0.29  1.0
  H  H10  1  0.03  0.89  0.62  1.0
  H  H11  1  0.69  0.89  0.36  1.0
  H  H12  1  0.31  0.1  0.81  1.0
  H  H13  1  0.31  0.1  0.52  1.0
  H  H14  1  0.86  0.9  0.84  1.0
  H  H15  1  0.86  0.9  0.13  1.0
  H  H16  1  0.24  0.69  0.8  1.0
  H  H17  1  0.38  0.69  0.52  1.0
  H  H18  1  0.93  0.31  0.85  1.0
  H  H19  1  0.79  0.31  0.12  1.0
  H  H20  1  0.61  0.46  0.49  1.0
  H  H21  1  0.01  0.46  0.84  1.0
  H  H22  1  0.56  0.54  0.16  1.0
  H  H23  1  0.16  0.54  0.81  1.0
  H  H24  1  0.84  0.44  0.29  1.0
  H  H25  1  0.87  0.44  0.68  1.0
  H  H26  1  0.32  0.56  0.36  1.0
  H  H27  1  0.29  0.56  0.97  1.0
  C  C28  1  0.8  0.1  0.86  1.0
  C  C29  1  0.81  0.1  0.47  1.0
  C  C30  1  0.36  0.9  0.79  1.0
  C  C31  1  0.35  0.9  0.18  1.0
  C  C32  1  0.62  0.84  0.4  1.0
  C  C33  1  0.1  0.84  0.57  1.0
  C  C34  1  0.55  0.16  0.25  1.0
  C  C35  1  0.07  0.16  0.08  1.0
  N  N36  1  0.07  0.84  0.95  1.0
  N  N37  1  0.65  0.84  0.03  1.0
  N  N38  1  0.1  0.16  0.7  1.0
  N  N39  1  0.52  0.16  0.62  1.0
  O  O40  1  0.3  0.93  0.6  1.0
  O  O41  1  0.42  0.93  0.37  1.0
  O  O42  1  0.87  0.07  0.04  1.0
  O  O43  1  0.75  0.07  0.28  1.0
  O  O44  1  0.03  0.88  0.24  1.0
  O  O45  1  0.59  0.88  0.09  1.0
  O  O46  1  0.14  0.12  0.41  1.0
  O  O47  1  0.58  0.12  0.56  1.0
  F  F48  1  0.65  0.06  0.25  1.0
  F  F49  1  0.07  0.06  0.72  1.0
  F  F50  1  0.52  0.94  0.4  1.0
  F  F51  1  0.1  0.94  0.92  1.0
  F  F52  1  0.25  0.94  0.25  1.0
  F  F53  1  0.47  0.94  0.72  1.0
  F  F54  1  0.92  0.06  0.4  1.0
  F  F55  1  0.7  0.06  0.93  1.0

data_CuH6C2N(OF)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.71
_cell_length_b   7.58
_cell_length_c   11.19
_cell_angle_alpha   109.78
_cell_angle_beta   97.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CuH6C2N(OF)2
_chemical_formula_sum   'Cu4 H24 C8 N4 O8 F8'
_cell_volume   530.56
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cu  Cu0  2  0.06  0.1  0.11  1.0
  Cu  Cu1  2  0.38  0.9  0.45  1.0
  H  H2  2  0.01  0.46  0.89  1.0
  H  H3  2  0.02  0.9  0.18  1.0
  H  H4  2  0.02  0.31  0.66  1.0
  H  H5  2  0.14  0.56  0.27  1.0
  H  H6  2  0.19  0.71  0.21  1.0
  H  H7  2  0.21  0.11  0.67  1.0
  H  H8  2  0.3  0.31  0.52  1.0
  H  H9  2  0.31  0.9  0.18  1.0
  H  H10  2  0.34  0.54  0.52  1.0
  H  H11  2  0.47  0.11  0.0  1.0
  H  H12  2  0.47  0.44  0.7  1.0
  H  H13  2  0.48  0.71  0.67  1.0
  C  C14  2  0.03  0.1  0.32  1.0
  C  C15  2  0.25  0.16  0.65  1.0
  C  C16  2  0.36  0.9  0.67  1.0
  C  C17  2  0.42  0.16  0.12  1.0
  N  N18  2  0.12  0.84  0.33  1.0
  N  N19  2  0.2  0.84  0.9  1.0
  O  O20  2  0.22  0.07  0.36  1.0
  O  O21  2  0.26  0.88  0.88  1.0
  O  O22  2  0.41  0.88  0.33  1.0
  O  O23  2  0.46  0.07  0.24  1.0
  F  F24  2  0.1  0.94  0.46  1.0
  F  F25  2  0.1  0.06  0.17  1.0
  F  F26  2  0.42  0.06  0.13  1.0
  F  F27  2  0.43  0.94  0.61  1.0

Cu Cu Cu Cu H H H H H H H H H H H H H H H H H H H H H H H H C C C C C C C C N N N N O O O O O O O O F F F F F F F F
Cu Cu Cu Cu H H H H H H H H H H H H H H H H H H H H H H H H C C C C C C C C N N N N O O O O O O O O F F F F F F F F 0 44 o o o 0 52 o o o 1 53 o o o 2 54 - o o 2 46 o o o 3 55 o o o 4 23 o o - 4 14 - o - 4 15 - o o 4 27 o o - 4 36 o o - 5 31 o o o 5 41 o o o 5 22 o o o 5 24 o o o 6 38 o o o 6 25 - o o 6 13 o o o 6 12 o o o 6 21 o o o 7 43 o o o 7 29 o o o 7 20 o o o 7 26 o o o 8 35 o o o 9 34 o o o 10 33 o o o 11 32 o o o 12 53 o - o 12 13 o o o 13 41 o - o 13 46 o o o 13 50 o - o 13 53 o - o 14 55 o + o 14 15 o o + 15 55 o + - 15 48 o + o 15 44 + o o 15 43 o + o 16 27 o o o 16 36 o o o 17 26 o o o 17 33 o o o 17 20 o o o 17 40 o o o 18 38 + o o 18 25 o o o 19 42 o o o 19 22 o o o 19 35 + o o 19 24 o o o 20 26 o o o 21 25 - o o 22 24 o o o 23 27 o o o 24 35 + o o 24 46 + o o 24 25 o o o 26 44 o o o 26 27 o o - 26 33 o o o 28 42 o o + 29 54 o o o 29 43 o o o 30 40 o o o 31 52 o o o 31 41 o o o 32 50 o o o 34 48 o o o 36 51 o o o 37 45 o o o 38 49 o o o 39 47 o o o 41 50 o o o 43 48 o o o 44 54 - + o 46 52 o - o 