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

Table 1; Model atom positions

xyzat
0.6572-3.1482-0.0C
-0.6572-3.1482-0.0C
0.0-0.6752-0.0C
-0.65723.14820.0C
0.65723.14820.0C
0.00.67520.0C
1.4776-1.6247-0.0S
-1.4776-1.6247-0.0S
-1.47761.62470.0S
1.47761.62470.0S