data_SNF-LIFM_Yi\(3)
_audit_creation_date              2023-06-20
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P63'
_symmetry_Int_Tables_number       173
_symmetry_cell_setting            hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -y,x-y,z
  -x+y,-x,z
  -x,-y,z+1/2
  y,-x+y,z+1/2
  x-y,x,z+1/2
_cell_length_a                    32.3399
_cell_length_b                    32.3399
_cell_length_c                    4.1215
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 120.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
O1     O     0.21896   0.51081   0.35351   0.01975  Uani   1.00
O2     O     0.20210   0.44167   0.22093   0.02523  Uani   1.00
C3     N     0.22286   0.48406   0.17072   0.01418  Uani   1.00
O4     O     0.24712   0.49493   0.92837   0.03280  Uani   1.00
O5     O     0.06537   0.55297   0.49776   0.00000  Uiso   1.00
Zn6    Zn    0.19768   0.42863   0.71952   0.00000  Uiso   1.00
C7     C     0.39802   0.48999   0.57078   0.00000  Uiso   1.00
C8     C     0.36813   0.50542   0.43718   0.00000  Uiso   1.00
C9     C     0.31884   0.47940   0.48927   0.00000  Uiso   1.00
C10    C     0.29781   0.43665   0.66556   0.00000  Uiso   1.00
C11    C     0.32833   0.42211   0.80680   0.00000  Uiso   1.00
C12    C     0.37765   0.44816   0.75539   0.00000  Uiso   1.00
N13    N     0.24627   0.40717   0.68918   0.00000  Uiso   1.00
C14    C     0.22576   0.35907   0.72300   0.00000  Uiso   1.00
C15    C     0.17795   0.33525   0.77934   0.00000  Uiso   1.00
C16    C     0.14920   0.28580   0.81979   0.00000  Uiso   1.00
C17    C     0.09974   0.26678   0.85689   0.00000  Uiso   1.00
C18    C     0.08024   0.29701   0.84377   0.00000  Uiso   1.00
C19    C     0.11136   0.34600   0.80085   0.00000  Uiso   1.00
N20    N     0.15845   0.36316   0.78412   0.00000  Uiso   1.00
C21    C     0.09789   0.37917   0.74919   0.00000  Uiso   1.00
N22    N     0.13364   0.42399   0.67871   0.00000  Uiso   1.00
C23    C     0.12173   0.46017   0.59143   0.00000  Uiso   1.00
C24    C     0.08153   0.44839   0.39656   0.00000  Uiso   1.00
C25    C     0.06466   0.48036   0.35857   0.00000  Uiso   1.00
C26    C     0.08771   0.52509   0.50928   0.00000  Uiso   1.00
C27    C     0.12898   0.53771   0.69333   0.00000  Uiso   1.00
C28    C     0.14592   0.50584   0.72941   0.00000  Uiso   1.00
H29    H     0.38272   0.53694   0.28627   0.00000  Uiso   1.00
H30    H     0.29761   0.49221   0.38008   0.00000  Uiso   1.00
H31    H     0.31429   0.39053   0.95721   0.00000  Uiso   1.00
H32    H     0.40019   0.43571   0.85938   0.00000  Uiso   1.00
H33    H     0.24559   0.34034   0.70403   0.00000  Uiso   1.00
H34    H     0.16438   0.26261   0.81933   0.00000  Uiso   1.00
H35    H     0.07653   0.22870   0.88727   0.00000  Uiso   1.00
H36    H     0.04204   0.28247   0.85777   0.00000  Uiso   1.00
H37    H     0.06062   0.36950   0.75122   0.00000  Uiso   1.00
H38    H     0.06207   0.41368   0.28236   0.00000  Uiso   1.00
H39    H     0.03280   0.46981   0.21699   0.00000  Uiso   1.00
H40    H     0.14701   0.57109   0.82363   0.00000  Uiso   1.00
H41    H     0.17591   0.51642   0.88436   0.00000  Uiso   1.00
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_ccdc_geom_bond_type
O1     C3      1.200   .     D
O2     C3      1.205   .     S
O2     Zn6     2.088   .     S
O2     Zn6     2.100   1_554 D
C3     O4      1.209   1_554 S
O4     Zn6     2.113   .     S
O4     C3      1.209   1_556 S
O5     C26     1.410   .     S
O5     C7      1.407   3_565 S
Zn6    N20     1.865   .     S
Zn6    N22     2.007   .     S
Zn6    N13     2.014   .     S
Zn6    O2      2.100   1_556 D
C7     C8      1.403   .     A
C7     C12     1.397   .     A
C7     O5      1.407   2_665 S
C8     C9      1.398   .     A
C8     H29     1.081   .     S
C9     C10     1.401   .     A
C9     H30     1.063   .     S
C10    C11     1.413   .     A
C10    N13     1.452   .     S
C11    C12     1.398   .     A
C11    H31     1.081   .     S
C12    H32     1.082   .     S
N13    C14     1.359   .     A
C14    C15     1.359   .     A
C14    H33     1.083   .     S
C15    C16     1.401   .     A
C15    N20     1.335   .     A
C16    C17     1.406   .     A
C16    H34     1.083   .     S
C17    C18     1.405   .     A
C17    H35     1.082   .     S
C18    C19     1.400   .     A
C18    H36     1.081   .     S
C19    N20     1.337   .     A
C19    C21     1.361   .     A
C21    N22     1.359   .     A
C21    H37     1.083   .     S
N22    C23     1.448   .     S
C23    C24     1.409   .     A
C23    C28     1.401   .     A
C24    C25     1.398   .     A
C24    H38     1.082   .     S
C25    C26     1.398   .     A
C25    H39     1.080   .     S
C26    C27     1.407   .     A
C27    C28     1.396   .     A
C27    H40     1.079   .     S
C28    H41     1.065   .     S
