SCSD model generated from precomputed using D_3h symmetry, available as ppc

Table 1; Model atom positions

x	y	z	at
4.4751	-2.4579	3.6033	C
5.5547	-2.8461	4.3927	C
5.2675	-4.071	4.9333	C
3.9729	-4.4219	4.484	C
3.178	-5.5045	4.8535	C
1.8431	-5.6516	4.484	C
0.8919	-6.5972	4.9333	C
-0.3125	-6.2335	4.3927	C
-0.109	-5.1045	3.6033	C
-1.1238	-4.3732	2.8147	C
-2.2446	-3.8881	3.4546	C
-3.2251	-3.1598	2.8147	C
-4.3659	-2.6466	3.6032	C
-5.242	-3.3874	4.3924	C
-6.1592	-2.5262	4.9329	C
-5.8158	-1.2297	4.4838	C
-6.3559	-0.0001	4.8533	C
-5.8159	1.2296	4.4839	C
-6.1593	2.5261	4.9331	C
-5.2422	3.3874	4.3927	C
-4.3661	2.6468	3.6033	C
-3.2254	3.16	2.8148	C
-2.2448	3.8882	3.4547	C
-1.124	4.3733	2.8148	C
-0.1091	5.1046	3.6033	C
-0.3125	6.2336	4.3927	C
0.892	6.5972	4.9331	C
1.8431	5.6515	4.4839	C
3.178	5.5043	4.8533	C
3.9728	4.4218	4.4838	C
5.2674	4.0709	4.9329	C
5.5546	2.846	4.3924	C
4.475	2.4577	3.6032	C
4.349	1.2131	2.8147	C
4.4895	-0.0001	3.4546	C
4.3491	-1.2134	2.8147	C
-1.0001	-4.2032	1.4317	C
-2.049	-3.5493	0.7007	C
-3.1397	-2.9677	1.4317	C
-4.1682	-2.3291	0.6744	C
-4.1682	-2.3291	-0.6744	C
-3.1397	-2.9677	-1.4317	C
-2.049	-3.5493	-0.7007	C
-1.0001	-4.2032	-1.4317	C
0.0672	-4.7747	-0.6744	C
0.0672	-4.7747	0.6744	C
-3.1401	2.9681	1.4317	C
-4.1687	2.3297	0.6744	C
-4.1687	2.3297	-0.6744	C
-3.1401	2.9681	-1.4317	C
-2.0494	3.5496	-0.7007	C
-1.0004	4.2035	-1.4317	C
0.0668	4.7751	-0.6744	C
0.0668	4.7751	0.6744	C
-1.0004	4.2035	1.4317	C
-2.0494	3.5496	0.7007	C
4.14	1.2352	1.4317	C
4.1012	2.4452	0.6744	C
4.1012	2.4452	-0.6744	C
4.14	1.2352	-1.4317	C
4.0983	-0.0002	-0.7007	C
4.1401	-1.2355	-1.4317	C
4.1014	-2.4455	-0.6744	C
4.1014	-2.4455	0.6744	C
4.1401	-1.2355	1.4317	C
4.0983	-0.0002	0.7007	C
4.4751	-2.4579	-3.6033	C
5.5547	-2.8461	-4.3927	C
5.2675	-4.071	-4.9333	C
3.9729	-4.4219	-4.484	C
3.178	-5.5045	-4.8535	C
1.8431	-5.6516	-4.484	C
0.8919	-6.5972	-4.9333	C
-0.3125	-6.2335	-4.3927	C
-0.109	-5.1045	-3.6033	C
-1.1238	-4.3732	-2.8147	C
-2.2446	-3.8881	-3.4546	C
-3.2251	-3.1598	-2.8147	C
-4.3659	-2.6466	-3.6032	C
-5.242	-3.3874	-4.3924	C
-6.1592	-2.5262	-4.9329	C
-5.8158	-1.2297	-4.4838	C
-6.3559	-0.0001	-4.8533	C
-5.8159	1.2296	-4.4839	C
-6.1593	2.5261	-4.9331	C
-5.2422	3.3874	-4.3927	C
-4.3661	2.6468	-3.6033	C
-3.2254	3.16	-2.8148	C
-2.2448	3.8882	-3.4547	C
-1.124	4.3733	-2.8148	C
-0.1091	5.1046	-3.6033	C
1.8431	5.6515	-4.4839	C
3.178	5.5043	-4.8533	C
3.9728	4.4218	-4.4838	C
5.2674	4.0709	-4.9329	C
5.5546	2.846	-4.3924	C
4.475	2.4577	-3.6032	C
4.349	1.2131	-2.8147	C
4.4895	-0.0001	-3.4546	C
4.3491	-1.2134	-2.8147	C
-0.3125	6.2336	-4.3927	C
0.892	6.5972	-4.9331	C
3.5224	-3.3978	3.6557	N
1.1814	-4.7494	3.6557	N
-4.7034	-1.3516	3.6557	N
-4.7037	1.3517	3.6557	N
1.1812	4.7493	3.6557	N
3.5222	3.3975	3.6557	N
3.5224	-3.3978	-3.6557	N
1.1814	-4.7494	-3.6557	N
-4.7034	-1.3516	-3.6557	N
-4.7037	1.3517	-3.6557	N
1.1812	4.7493	-3.6557	N
3.5222	3.3975	-3.6557	N

Figure 2; Model atom positions and symmetry operations