data_ZnSiH24C28(N2F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.98
_cell_length_b   13.98
_cell_length_c   7.74
_cell_angle_alpha   90.25
_cell_angle_beta   90.25
_cell_angle_gamma   90.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSiH24C28(N2F3)2
_chemical_formula_sum   'Zn1 Si1 H24 C28 N4 F6'
_cell_volume   1513.64
_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
  Zn  Zn0  1  0.98  0.0  0.87  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  H  H2  1  0.12  0.63  0.79  1.0
  H  H3  1  0.36  0.4  0.76  1.0
  H  H4  1  0.27  0.69  0.95  1.0
  H  H5  1  0.45  0.31  0.8  1.0
  H  H6  1  0.6  0.37  0.95  1.0
  H  H7  1  0.36  0.6  0.98  1.0
  H  H8  1  0.12  0.37  0.79  1.0
  H  H9  1  0.36  0.6  0.76  1.0
  H  H10  1  0.27  0.31  0.95  1.0
  H  H11  1  0.45  0.69  0.8  1.0
  H  H12  1  0.6  0.63  0.95  1.0
  H  H13  1  0.36  0.4  0.98  1.0
  H  H14  1  0.89  0.59  0.06  1.0
  H  H15  1  0.64  0.32  0.43  1.0
  H  H16  1  0.26  0.94  0.07  1.0
  H  H17  1  0.46  0.06  0.67  1.0
  H  H18  1  0.08  0.68  0.32  1.0
  H  H19  1  0.83  0.41  0.68  1.0
  H  H20  1  0.26  0.06  0.07  1.0
  H  H21  1  0.64  0.68  0.43  1.0
  H  H22  1  0.89  0.41  0.06  1.0
  H  H23  1  0.83  0.59  0.68  1.0
  H  H24  1  0.08  0.32  0.32  1.0
  H  H25  1  0.46  0.94  0.67  1.0
  C  C26  1  0.72  0.03  0.72  1.0
  C  C27  1  0.74  0.01  0.71  1.0
  C  C28  1  0.23  0.51  0.93  1.0
  C  C29  1  0.74  0.99  0.14  1.0
  C  C30  1  0.85  0.11  0.04  1.0
  C  C31  1  0.23  0.51  0.9  1.0
  C  C32  1  0.49  0.49  0.84  1.0
  C  C33  1  0.49  0.49  0.82  1.0
  C  C34  1  0.97  0.01  0.61  1.0
  C  C35  1  0.87  0.89  0.71  1.0
  C  C36  1  0.0  0.97  0.03  1.0
  C  C37  1  0.98  0.99  0.04  1.0
  C  C38  1  0.72  0.97  0.72  1.0
  C  C39  1  0.74  0.99  0.71  1.0
  C  C40  1  0.23  0.49  0.93  1.0
  C  C41  1  0.74  0.01  0.14  1.0
  C  C42  1  0.85  0.89  0.04  1.0
  C  C43  1  0.23  0.49  0.9  1.0
  C  C44  1  0.49  0.51  0.84  1.0
  C  C45  1  0.49  0.51  0.82  1.0
  C  C46  1  0.97  0.99  0.61  1.0
  C  C47  1  0.87  0.11  0.71  1.0
  C  C48  1  0.0  0.03  0.03  1.0
  C  C49  1  0.98  0.01  0.04  1.0
  C  C50  1  0.41  0.55  0.49  1.0
  C  C51  1  0.31  0.45  0.25  1.0
  C  C52  1  0.41  0.45  0.49  1.0
  C  C53  1  0.31  0.55  0.25  1.0
  N  N54  1  0.21  0.53  0.87  1.0
  N  N55  1  0.51  0.47  0.87  1.0
  N  N56  1  0.21  0.47  0.87  1.0
  N  N57  1  0.51  0.53  0.87  1.0
  F  F58  1  0.73  0.0  0.75  1.0
  F  F59  1  0.99  0.0  0.99  1.0
  F  F60  1  0.88  0.81  0.0  1.0
  F  F61  1  0.88  0.19  0.0  1.0
  F  F62  1  0.02  0.0  0.71  1.0
  F  F63  1  0.7  0.0  0.03  1.0

data_ZnSiH24C28(N2F3)2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.74
_cell_length_b   13.98
_cell_length_c   13.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnSiH24C28(N2F3)2
_chemical_formula_sum   'Zn1 Si1 H24 C28 N4 F6'
_cell_volume   1513.65
_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
  Zn  Zn0  1  0.87  0.0  0.98  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  H  H2  2  0.06  0.41  0.89  1.0
  H  H3  2  0.07  0.06  0.26  1.0
  H  H4  2  0.32  0.32  0.08  1.0
  H  H5  2  0.43  0.32  0.64  1.0
  H  H6  2  0.67  0.06  0.46  1.0
  H  H7  2  0.68  0.41  0.83  1.0
  H  H8  2  0.76  0.4  0.36  1.0
  H  H9  2  0.79  0.37  0.12  1.0
  H  H10  2  0.8  0.31  0.45  1.0
  H  H11  2  0.95  0.31  0.27  1.0
  H  H12  2  0.95  0.37  0.6  1.0
  H  H13  2  0.98  0.4  0.36  1.0
  C  C14  2  0.03  0.03  0.0  1.0
  C  C15  2  0.04  0.01  0.98  1.0
  C  C16  2  0.04  0.11  0.85  1.0
  C  C17  2  0.14  0.01  0.74  1.0
  C  C18  2  0.25  0.45  0.31  1.0
  C  C19  2  0.49  0.45  0.41  1.0
  C  C20  2  0.61  0.01  0.97  1.0
  C  C21  2  0.71  0.11  0.87  1.0
  C  C22  2  0.71  0.01  0.74  1.0
  C  C23  2  0.72  0.03  0.72  1.0
  C  C24  2  0.82  0.49  0.49  1.0
  C  C25  2  0.84  0.49  0.49  1.0
  C  C26  2  0.9  0.49  0.23  1.0
  C  C27  2  0.93  0.49  0.23  1.0
  N  N28  2  0.87  0.47  0.21  1.0
  N  N29  2  0.87  0.47  0.51  1.0
  F  F30  2  -0.0  0.19  0.88  1.0
  F  F31  1  0.03  0.0  0.7  1.0
  F  F32  1  0.71  0.0  0.02  1.0
  F  F33  1  0.75  0.0  0.73  1.0
  F  F34  1  0.99  0.0  0.99  1.0

Zn Si 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 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