!BIOSYM archive 3 PBC=ON !DATE Sep 24 13:09:21 2020 PBC 4.17970 4.17970 2.66690 90.00000 90.00000 90.00000 Si1 2.08985000 2.08985000 1.33345000 XXXX 1 xx Si 0.000 Si2 0.00000000 0.00000000 0.00000000 XXXX 1 xx Si 0.000 O3 0.81002586 3.36967414 1.33345000 XXXX 1 xx O 0.000 O4 3.36967414 0.81002586 1.33345000 XXXX 1 xx O 0.000 O5 1.27982414 1.27982414 0.00000000 XXXX 1 xx O 0.000 O6 2.89987586 2.89987586 0.00000000 XXXX 1 xx O 0.000 end end