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

Table 1; Model atom positions

xyzat
3.4062-2.49580.0C
2.5819-1.24330.0C
3.21820.00.0C
2.58191.2433-0.0C
3.40622.4958-0.0C
-3.40622.4958-0.0C
-2.58191.2433-0.0C
-3.2182-0.00.0C
-2.5819-1.24330.0C
-3.4062-2.49580.0C
0.00.00.0CU
1.3115-1.38910.0O
1.31151.3891-0.0O
-1.31151.3891-0.0O
-1.3115-1.38910.0O