SCSD model generated from precomputed using D_6h symmetry, available as cb6

Table 1; Model atom positions

x	y	z	at
-3.448	1.9907	1.9407	C
-3.9802	3.1946	0.0	C
-4.7567	1.8496	0.0	C
-3.448	1.9907	-1.9407	C
-4.8951	-0.0	1.7551	C
-4.8951	-0.0	-1.7551	C
-3.448	-1.9907	1.9407	C
-4.7567	-1.8496	0.0	C
-3.9802	-3.1946	0.0	C
-3.448	-1.9907	-1.9407	C
-2.4476	-4.2393	1.7551	C
-2.4476	-4.2393	-1.7551	C
0.0	-3.9814	1.9407	C
-0.7765	-5.0443	-0.0	C
0.7765	-5.0443	-0.0	C
0.0	-3.9814	-1.9407	C
-2.4476	4.2393	-1.7551	C
-2.4476	4.2393	1.7551	C
3.448	-1.9907	-1.9407	C
3.9802	-3.1946	-0.0	C
4.7567	-1.8496	-0.0	C
3.448	-1.9907	1.9407	C
4.8951	0.0	-1.7551	C
4.8951	0.0	1.7551	C
3.448	1.9907	-1.9407	C
4.7567	1.8496	-0.0	C
3.9802	3.1946	-0.0	C
3.448	1.9907	1.9407	C
2.4476	4.2393	-1.7551	C
2.4476	4.2393	1.7551	C
-0.0	3.9814	-1.9407	C
0.7765	5.0443	0.0	C
-0.7765	5.0443	0.0	C
-0.0	3.9814	1.9407	C
2.4476	-4.2393	1.7551	C
2.4476	-4.2393	-1.7551	C
-3.2083	3.1306	1.2219	N
-4.3153	1.2131	1.2219	N
-4.3153	1.2131	-1.2219	N
-3.2083	3.1306	-1.2219	N
-4.3153	-1.2131	1.2219	N
-3.2083	-3.1306	1.2219	N
-3.2083	-3.1306	-1.2219	N
-4.3153	-1.2131	-1.2219	N
-1.107	-4.3437	1.2219	N
1.107	-4.3437	1.2219	N
1.107	-4.3437	-1.2219	N
-1.107	-4.3437	-1.2219	N
3.2083	-3.1306	-1.2219	N
4.3153	-1.2131	-1.2219	N
4.3153	-1.2131	1.2219	N
3.2083	-3.1306	1.2219	N
4.3153	1.2131	-1.2219	N
3.2083	3.1306	-1.2219	N
3.2083	3.1306	1.2219	N
4.3153	1.2131	1.2219	N
1.107	4.3437	-1.2219	N
-1.107	4.3437	-1.2219	N
-1.107	4.3437	1.2219	N
1.107	4.3437	1.2219	N
-2.9961	1.7298	3.0445	O
-2.9961	1.7298	-3.0445	O
-2.9961	-1.7298	3.0445	O
-2.9961	-1.7298	-3.0445	O
0.0	-3.4596	3.0445	O
0.0	-3.4596	-3.0445	O
2.9961	-1.7298	-3.0445	O
2.9961	-1.7298	3.0445	O
2.9961	1.7298	-3.0445	O
2.9961	1.7298	3.0445	O
-0.0	3.4596	-3.0445	O
-0.0	3.4596	3.0445	O