SCSD model generated from precomputed using D2h symmetry, available as norcorrole

Table 1; Model atom positions

xyzat
2.5656-0.7374-0.0C
-1.2572-2.57240.0C
-0.0-3.25670.0C
1.2572-2.5724-0.0C
3.4342-1.8641-0.0C
2.6364-2.9932-0.0C
-2.6364-2.99320.0C
-2.5656-0.73740.0C
-3.4342-1.86410.0C
-2.56560.73740.0C
1.25722.5724-0.0C
0.03.25670.0C
-1.25722.57240.0C
-3.43421.86410.0C
-2.63642.99320.0C
2.63642.9932-0.0C
2.56560.7374-0.0C
3.43421.8641-0.0C
1.3016-1.2098-0.0N
-1.3016-1.20980.0N
-1.30161.20980.0N
1.30161.2098-0.0N

Figure 2; Model atom positions and symmetry operations



AVOHEA, BOHZUW, BOJBAG, CALQIS, CALQOY, CALQUE, CALRAL, CALREP, CASHOW, CEGYOF, DOSGEA, DULLAA, HOPTUE, LAHVEY, LAHVIC, LAHVOI, LAHVUO, MUJTIW, MUJTOC, REMGEY, REMGIC, REMGOI, RERREO, RULGIR, RULGOX, WOHPER, YAFSAC, YAFSEG, YEHTEN, YEHTIR, YEHTOX, YEKQUC