!BIOSYM archive 3 PBC=ON !DATE Aug 19 10:08:08 2020 PBC 3.89960 3.89960 3.89960 90.00000 90.00000 90.00000 Sr1 0.00000000 0.00000000 0.00000000 XXXX 1 xx Sr 0.000 Ti2 1.94980000 1.94980000 1.94980000 XXXX 1 xx Ti 0.000 O3 0.00000000 1.94980000 1.94980000 XXXX 1 xx O 0.000 O4 1.94980000 0.00000000 1.94980000 XXXX 1 xx O 0.000 O5 1.94980000 1.94980000 0.00000000 XXXX 1 xx O 0.000 end end