SCSD model generated from precomputed using D2d symmetry, available as pillarplex

Table 1; Model atom positions

xyzat
-3.743-1.62520.8614AU
-1.6252-3.7430.8614AU
1.6252-3.743-0.8614AU
-3.7431.6252-0.8614AU
1.62523.7430.8614AU
3.7431.62520.8614AU
3.743-1.6252-0.8614AU
-1.62523.743-0.8614AU
-4.0011-1.13432.766C
-4.2656-0.05584.695C
-3.8592-1.295.0142C
-3.3787-3.37873.7222C
-1.1343-4.00112.766C
-0.0558-4.26564.695C
-1.29-3.85925.0142C
-4.80321.18262.5536C
-3.6942.14232.2632C
-2.99542.99543.0785C
1.1826-4.80322.5536C
2.1423-3.6942.2632C
2.9954-2.99543.0785C
1.1343-4.0011-2.766C
1.29-3.8592-5.0142C
0.0558-4.2656-4.695C
-1.1826-4.8032-2.5536C
-2.1423-3.694-2.2632C
-2.9954-2.9954-3.0785C
-3.694-2.1423-2.2632C
-4.8032-1.1826-2.5536C
-4.00111.1343-2.766C
-3.85921.29-5.0142C
-4.26560.0558-4.695C
3.3787-3.3787-3.7222C
-3.37873.3787-3.7222C
1.13434.00112.766C
0.05584.26564.695C
1.293.85925.0142C
3.37873.37873.7222C
4.00111.13432.766C
4.26560.05584.695C
3.85921.295.0142C
-1.18264.80322.5536C
-2.14233.6942.2632C
4.8032-1.18262.5536C
3.694-2.14232.2632C
4.0011-1.1343-2.766C
3.8592-1.29-5.0142C
4.2656-0.0558-4.695C
4.80321.1826-2.5536C
3.6942.1423-2.2632C
2.99542.9954-3.0785C
2.14233.694-2.2632C
1.18264.8032-2.5536C
-1.13434.0011-2.766C
-1.293.8592-5.0142C
-0.05584.2656-4.695C
-4.35460.00713.3216N
-3.6975-1.94743.8184N
-1.9474-3.69753.8184N
0.0071-4.35463.3216N
-3.29042.32871.0074N
2.3287-3.29041.0074N
1.9474-3.6975-3.8184N
-0.0071-4.3546-3.3216N
-2.3287-3.2904-1.0074N
-3.2904-2.3287-1.0074N
-4.3546-0.0071-3.3216N
-3.69751.9474-3.8184N
-0.00714.35463.3216N
1.94743.69753.8184N
3.69751.94743.8184N
4.3546-0.00713.3216N
-2.32873.29041.0074N
3.2904-2.32871.0074N
3.6975-1.9474-3.8184N
4.35460.0071-3.3216N
3.29042.3287-1.0074N
2.32873.2904-1.0074N
0.00714.3546-3.3216N
-1.94743.6975-3.8184N

Figure 2; Model atom positions and symmetry operations