SCSD model generated from precomputed using C_2v symmetry, available as DADCAM

Table 1; Model atom positions

x	y	z	at
-1.7145	-0.0	2.2778	C
-0.7186	-0.0	1.2796	C
4.1507	0.0	-2.1643	C
-3.4065	-0.0	0.5302	C
2.8242	0.0	-1.8426	C
2.4246	0.0	-0.4926	C
-4.1507	0.0	-2.1643	C
3.0162	-0.0	1.9036	C
-3.0162	-0.0	1.9036	C
5.1211	0.0	-1.1611	C
-4.7604	-0.0	0.1484	C
-2.8242	0.0	-1.8426	C
-2.4246	0.0	-0.4926	C
-1.0969	0.0	-0.0397	C
-5.1211	0.0	-1.1611	C
1.0969	0.0	-0.0397	C
3.4065	-0.0	0.5302	C
4.7604	-0.0	0.1484	C
1.7145	-0.0	2.2778	C
0.7186	-0.0	1.2796	C
0.0	0.0	-0.8784	O

Figure 2; Model atom positions and symmetry operations