SCSD model generated from precomputed using D2h symmetry, available as corenothiophene

Table 1; Model atom positions

xyz
-3.53-3.71680.0
-2.4378-2.83090.0
-2.4707-1.42010.0
-3.7016-0.70520.0
-4.9252-1.36360.0
-6.0252-0.68540.0
-6.02520.68540.0
-4.92521.36360.0
-3.70160.70520.0
-2.47071.42010.0
-2.43782.8309-0.0
-3.533.7168-0.0
-3.08895.0065-0.0
-1.22693.5197-0.0
-0.02.8522-0.0
-1.2269-3.51970.0
-3.0889-5.00650.0
-0.01.4341-0.0
-1.24830.72160.0
-1.2483-0.72160.0
3.533.7168-0.0
2.43782.8309-0.0
2.47071.4201-0.0
3.70160.7052-0.0
4.92521.3636-0.0
6.02520.6854-0.0
6.0252-0.6854-0.0
4.9252-1.3636-0.0
3.7016-0.7052-0.0
2.4707-1.4201-0.0
2.4378-2.83090.0
3.53-3.71680.0
3.0889-5.00650.0
1.2269-3.51970.0
0.0-2.85220.0
1.22693.5197-0.0
3.08895.0065-0.0
0.0-1.43410.0
1.2483-0.7216-0.0
1.24830.7216-0.0
-1.42365.2128-0.0
-1.4236-5.21280.0
1.4236-5.21280.0
1.42365.2128-0.0

Figure 2; Model atom positions and symmetry operations