data_COF\model\(3)\b\P1\3.46bFmmm
_audit_creation_date              2014-01-16
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'FMMM'
_symmetry_Int_Tables_number       69
_symmetry_cell_setting            orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,-y,z
  -x,y,-z
  x,-y,-z
  -x,-y,-z
  x,y,-z
  x,-y,z
  -x,y,z
  x,y+1/2,z+1/2
  -x,-y+1/2,z+1/2
  -x,y+1/2,-z+1/2
  x,-y+1/2,-z+1/2
  -x,-y+1/2,-z+1/2
  x,y+1/2,-z+1/2
  x,-y+1/2,z+1/2
  -x,y+1/2,z+1/2
  x+1/2,y,z+1/2
  -x+1/2,-y,z+1/2
  -x+1/2,y,-z+1/2
  x+1/2,-y,-z+1/2
  -x+1/2,-y,-z+1/2
  x+1/2,y,-z+1/2
  x+1/2,-y,z+1/2
  -x+1/2,y,z+1/2
  x+1/2,y+1/2,z
  -x+1/2,-y+1/2,z
  -x+1/2,y+1/2,-z
  x+1/2,-y+1/2,-z
  -x+1/2,-y+1/2,-z
  x+1/2,y+1/2,-z
  x+1/2,-y+1/2,z
  -x+1/2,y+1/2,z
_cell_length_a                    23.2910
_cell_length_b                    6.9214
_cell_length_c                    40.3412
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
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
S1     S     0.21818   0.00000  -0.30555   0.00000  Uiso   1.00
C2     C     0.14855   0.00000  -0.30325   0.00000  Uiso   1.00
C3     C     0.06035   0.00000  -0.27331   0.00000  Uiso   1.00
C4     C     0.06023   0.00000  -0.33346   0.00000  Uiso   1.00
S5     S    -0.06741   0.00000  -0.45632   0.00000  Uiso   1.00
C6     C    -0.02915   0.00000  -0.42265   0.00000  Uiso   1.00
C7     C     0.05986   0.00000  -0.39352   0.00000  Uiso   1.00
C8     C    -0.03031   0.00000  -0.36338   0.00000  Uiso   1.00
S9     S    -0.15077   0.00000  -0.23814   0.00000  Uiso   1.00
C10    C    -0.11940   0.00000  -0.27410   0.00000  Uiso   1.00
C11    C    -0.12020   0.00000  -0.33317   0.00000  Uiso   1.00
C12    C    -0.02992   0.00000  -0.30315   0.00000  Uiso   1.00
Pt13   Pt    0.25000   0.00000  -0.25000   0.00000  Uiso   1.00
Pt14   Pt    0.50000   0.00000   0.00000   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
S1     Pt13    2.360   .     S
S1     C2      1.624   .     S
C2     C10     1.358   2     S
C2     C11     1.376   2     S
C3     C10     1.376   2     S
C3     C12     1.397   2     S
C4     C8      1.394   2     S
C4     C12     1.412   2     S
C4     C11     1.397   2     S
S5     C6      1.624   .     S
S5     Pt14    2.360   17_454 S
C6     C6      1.358   2     S
C6     C7      1.376   2     S
C7     C6      1.376   2     S
C7     C8      1.397   2     S
C8     C4      1.394   2     S
C8     C8      1.412   2     S
C8     C7      1.397   2     S
S9     Pt13    2.360   2     S
S9     C10     1.624   .     S
C10    C2      1.358   2     S
C10    C3      1.376   2     S
C11    C2      1.376   2     S
C11    C4      1.397   2     S
C12    C12     1.394   2     S
C12    C4      1.412   2     S
C12    C3      1.397   2     S
Pt13   S1      2.360   19_554 S
Pt13   S9      2.360   20_554 S
Pt13   S9      2.360   2     S
Pt14   S5      2.360   19_554 S
Pt14   S5      2.360   20_554 S
Pt14   S5      2.360   17    S
Pt14   S5      2.360   18    S
