SCSD model generated from precomputed using C_3v symmetry, available as ctc

Table 1; Model atom positions

x	y	z	at
-1.7998	0.0	1.8333	C
0.8999	1.5587	1.8333	C
0.8999	-1.5587	1.8333	C
-1.4949	-1.2565	1.066	C
1.8356	0.6663	1.066	C
1.8356	-0.6663	1.066	C
-0.3408	1.9229	1.066	C
-1.4949	1.2565	1.066	C
-0.3407	-1.9229	1.066	C
-2.58	-1.6581	0.2433	C
2.726	1.4053	0.2433	C
2.726	-1.4053	0.2432	C
-0.146	3.0634	0.2433	C
-2.58	1.6582	0.2433	C
-0.146	-3.0634	0.2432	C
-2.4057	-2.7011	-0.6562	C
3.5421	0.7328	-0.6562	C
3.5421	-0.7328	-0.6563	C
-1.1364	3.4339	-0.6563	C
-2.4057	2.7012	-0.6563	C
-1.1364	-3.434	-0.6563	C
-3.2528	-3.2364	-1.5696	O
-3.2528	3.2364	-1.5696	O
4.4292	-1.1988	-1.5696	O
-1.1764	-4.4352	-1.5696	O
4.4292	1.1988	-1.5696	O
-1.1764	4.4352	-1.5696	O