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

Table 1; Model atom positions

x	y	z	at
2.8432	-0.0	3.718	C
3.5754	-0.0	2.5326	C
3.5199	0.0	-0.0196	C
-2.8432	-0.0	3.718	C
-1.4255	-0.0	5.4386	C
3.7408	0.0	-2.5003	C
3.0387	0.0	-3.7434	C
1.6067	0.0	-3.8664	C
0.7512	0.0	-2.6748	C
-0.7512	0.0	-2.6748	C
-1.6067	0.0	-3.8664	C
-3.0387	0.0	-3.7434	C
-3.7408	0.0	-2.5003	C
-2.9385	0.0	-1.2928	C
-1.4561	0.0	-1.3609	C
-3.5199	0.0	-0.0196	C
-2.8502	-0.0	1.336	C
-1.4517	-0.0	1.3257	C
-3.5754	-0.0	2.5326	C
-1.4579	-0.0	3.7473	C
-0.7172	-0.0	2.5318	C
0.7172	-0.0	2.5318	C
1.4579	-0.0	3.7473	C
2.8502	-0.0	1.336	C
1.4517	-0.0	1.3257	C
2.9385	0.0	-1.2928	C
1.4561	0.0	-1.3609	C
0.705	0.0	-0.11	C
-0.705	0.0	-0.11	C
1.4255	-0.0	5.4386	C
1.1375	0.0	-5.1791	O
5.1707	0.0	-2.5899	O
5.0081	-0.0	2.6799	O
4.8938	-0.0	0.0274	O
-5.0081	-0.0	2.6799	O
-1.1375	0.0	-5.1791	O
-5.1707	0.0	-2.5899	O
-4.8938	-0.0	0.0274	O

Figure 2; Model atom positions and symmetry operations