data_CuSiH12C24(N2F5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.77
_cell_length_b   13.77
_cell_length_c   7.97
_cell_angle_alpha   90.01
_cell_angle_beta   90.01
_cell_angle_gamma   90.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSiH12C24(N2F5)2
_chemical_formula_sum   'Cu1 Si1 H12 C24 N4 F10'
_cell_volume   1512.55
_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
  Cu  Cu0  1  1.0  0.0  0.99  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  H  H2  1  0.95  0.52  0.92  1.0
  H  H3  1  0.2  0.28  0.83  1.0
  H  H4  1  0.2  0.8  0.1  1.0
  H  H5  1  0.27  0.2  0.87  1.0
  H  H6  1  0.52  0.48  0.05  1.0
  H  H7  1  0.27  0.72  0.15  1.0
  H  H8  1  0.95  0.48  0.92  1.0
  H  H9  1  0.2  0.72  0.83  1.0
  H  H10  1  0.2  0.2  0.1  1.0
  H  H11  1  0.27  0.8  0.87  1.0
  H  H12  1  0.52  0.52  0.05  1.0
  H  H13  1  0.27  0.28  0.15  1.0
  C  C14  1  0.54  0.93  0.83  1.0
  C  C15  1  0.56  0.91  0.79  1.0
  C  C16  1  0.03  0.44  0.98  1.0
  C  C17  1  0.82  0.18  0.18  1.0
  C  C18  1  0.8  0.2  0.17  1.0
  C  C19  1  0.04  0.44  0.99  1.0
  C  C20  1  0.44  0.56  0.98  1.0
  C  C21  1  0.44  0.56  0.99  1.0
  C  C22  1  0.65  0.82  0.8  1.0
  C  C23  1  0.67  0.8  0.81  1.0
  C  C24  1  0.93  0.07  0.14  1.0
  C  C25  1  0.91  0.09  0.19  1.0
  C  C26  1  0.54  0.07  0.83  1.0
  C  C27  1  0.56  0.09  0.79  1.0
  C  C28  1  0.03  0.56  0.98  1.0
  C  C29  1  0.82  0.82  0.18  1.0
  C  C30  1  0.8  0.8  0.17  1.0
  C  C31  1  0.04  0.56  0.99  1.0
  C  C32  1  0.44  0.44  0.98  1.0
  C  C33  1  0.44  0.44  0.99  1.0
  C  C34  1  0.65  0.18  0.8  1.0
  C  C35  1  0.67  0.2  0.81  1.0
  C  C36  1  0.93  0.93  0.14  1.0
  C  C37  1  0.91  0.91  0.19  1.0
  N  N38  1  0.28  0.72  0.0  1.0
  N  N39  1  0.19  0.28  0.97  1.0
  N  N40  1  0.28  0.28  0.0  1.0
  N  N41  1  0.19  0.72  0.97  1.0
  F  F42  1  0.0  0.0  0.74  1.0
  F  F43  1  0.47  0.0  0.24  1.0
  F  F44  1  0.74  0.97  0.0  1.0
  F  F45  1  0.74  0.03  0.0  1.0
  F  F46  1  0.76  0.0  0.97  1.0
  F  F47  1  0.71  0.0  0.0  1.0
  F  F48  1  0.36  0.63  0.36  1.0
  F  F49  1  0.11  0.37  0.61  1.0
  F  F50  1  0.36  0.37  0.36  1.0
  F  F51  1  0.11  0.63  0.61  1.0

data_CuSiH12C24(N2F5)2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.97
_cell_length_b   13.77
_cell_length_c   13.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CuSiH12C24(N2F5)2
_chemical_formula_sum   'Cu1 Si1 H12 C24 N4 F10'
_cell_volume   1512.55
_cell_formula_units_Z   1
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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.99  0.0  1.0  1.0
  H  H2  2  0.05  0.48  0.52  1.0
  H  H3  2  0.1  0.2  0.2  1.0
  H  H4  2  0.15  0.28  0.27  1.0
  H  H5  2  0.83  0.28  0.2  1.0
  H  H6  2  0.87  0.2  0.27  1.0
  H  H7  2  0.92  0.48  0.95  1.0
  C  C8  2  0.14  0.07  0.93  1.0
  C  C9  2  0.17  0.2  0.8  1.0
  C  C10  2  0.18  0.18  0.82  1.0
  C  C11  2  0.19  0.09  0.91  1.0
  C  C12  2  0.79  0.09  0.56  1.0
  C  C13  2  0.8  0.18  0.65  1.0
  C  C14  2  0.81  0.2  0.67  1.0
  C  C15  2  0.83  0.07  0.54  1.0
  C  C16  2  0.98  0.44  0.03  1.0
  C  C17  2  0.98  0.44  0.44  1.0
  C  C18  2  0.99  0.44  0.04  1.0
  C  C19  2  0.99  0.44  0.44  1.0
  N  N20  2  0.0  0.28  0.28  1.0
  N  N21  2  0.97  0.28  0.19  1.0
  F  F22  2  -0.0  0.03  0.74  1.0
  F  F23  2  0.36  0.37  0.36  1.0
  F  F24  2  0.61  0.37  0.11  1.0
  F  F25  1  0.0  0.0  0.71  1.0
  F  F26  1  0.24  0.0  0.47  1.0
  F  F27  1  0.74  0.0  0.0  1.0
  F  F28  1  0.97  0.0  0.76  1.0

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