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

Table 1; Model atom positions

xyz
-2.5621.231-0.0
-2.562-1.2310.0
-3.2158-0.00.0
-3.38222.4856-0.0
-3.3822-2.48560.0
2.562-1.2310.0
2.5621.231-0.0
3.21580.00.0
3.3822-2.48560.0
3.38222.4856-0.0
0.00.00.0
-1.3083-1.39520.0
-1.30831.3952-0.0
1.30831.3952-0.0
1.3083-1.39520.0