SCSD model generated from precomputed using D_8h symmetry, available as cb8

Table 1; Model atom positions

x	y	z	at
-2.1137	5.1029	-1.9446	C
-2.1137	5.1029	1.9446	C
-1.803	6.3518	0.0	C
-3.2164	5.7663	0.0	C
-4.4936	4.4936	-1.8082	C
-4.4936	4.4936	1.8082	C
-5.1029	2.1137	-1.9446	C
-5.1029	2.1137	1.9446	C
-5.7663	3.2164	0.0	C
-6.3518	1.803	0.0	C
-6.3549	0.0	-1.8082	C
-6.3549	0.0	1.8082	C
-5.1029	-2.1137	-1.9446	C
-5.1029	-2.1137	1.9446	C
-6.3518	-1.803	0.0	C
-5.7663	-3.2164	-0.0	C
-4.4936	-4.4936	-1.8082	C
-4.4936	-4.4936	1.8082	C
-2.1137	-5.1029	-1.9446	C
-2.1137	-5.1029	1.9446	C
-3.2164	-5.7663	-0.0	C
-1.803	-6.3518	-0.0	C
-0.0	-6.3549	-1.8082	C
-0.0	-6.3549	1.8082	C
2.1137	-5.1029	1.9446	C
2.1137	-5.1029	-1.9446	C
1.803	-6.3518	-0.0	C
3.2164	-5.7663	-0.0	C
4.4936	-4.4936	1.8082	C
4.4936	-4.4936	-1.8082	C
5.1029	-2.1137	1.9446	C
5.1029	-2.1137	-1.9446	C
5.7663	-3.2164	-0.0	C
6.3518	-1.803	-0.0	C
6.3549	-0.0	1.8082	C
6.3549	-0.0	-1.8082	C
5.1029	2.1137	1.9446	C
5.1029	2.1137	-1.9446	C
6.3518	1.803	-0.0	C
5.7663	3.2164	0.0	C
4.4936	4.4936	1.8082	C
4.4936	4.4936	-1.8082	C
2.1137	5.1029	1.9446	C
2.1137	5.1029	-1.9446	C
3.2164	5.7663	0.0	C
1.803	6.3518	0.0	C
0.0	6.3549	1.8082	C
0.0	6.3549	-1.8082	C
1.2116	-5.8184	1.2152	N
-1.2116	5.8184	1.2152	N
-3.2576	4.9709	-1.2152	N
-3.2576	4.9709	1.2152	N
-4.9709	3.2576	-1.2152	N
-4.9709	3.2576	1.2152	N
-5.8184	1.2116	-1.2152	N
-5.8184	1.2116	1.2152	N
-5.8184	-1.2116	-1.2152	N
-5.8184	-1.2116	1.2152	N
-4.9709	-3.2576	-1.2152	N
-4.9709	-3.2576	1.2152	N
-3.2576	-4.9709	-1.2152	N
-3.2576	-4.9709	1.2152	N
-1.2116	-5.8184	-1.2152	N
-1.2116	-5.8184	1.2152	N
1.2116	-5.8184	-1.2152	N
3.2576	-4.9709	1.2152	N
3.2576	-4.9709	-1.2152	N
4.9709	-3.2576	1.2152	N
4.9709	-3.2576	-1.2152	N
5.8184	-1.2116	1.2152	N
5.8184	-1.2116	-1.2152	N
5.8184	1.2116	1.2152	N
5.8184	1.2116	-1.2152	N
4.9709	3.2576	1.2152	N
4.9709	3.2576	-1.2152	N
3.2576	4.9709	1.2152	N
3.2576	4.9709	-1.2152	N
1.2116	5.8184	1.2152	N
1.2116	5.8184	-1.2152	N
-1.2116	5.8184	-1.2152	N
-1.9162	4.6262	-3.068	O
-1.9162	4.6262	3.068	O
-4.6262	1.9162	-3.068	O
-4.6262	1.9162	3.068	O
-4.6262	-1.9162	-3.068	O
-4.6262	-1.9162	3.068	O
-1.9162	-4.6262	-3.068	O
-1.9162	-4.6262	3.068	O
1.9162	-4.6262	3.068	O
1.9162	-4.6262	-3.068	O
4.6262	-1.9162	3.068	O
4.6262	-1.9162	-3.068	O
4.6262	1.9162	3.068	O
4.6262	1.9162	-3.068	O
1.9162	4.6262	3.068	O
1.9162	4.6262	-3.068	O

Figure 2; Model atom positions and symmetry operations