shelxc TS03 << eof
INFL TS03_12287_scaled_INFL.sca
LREM TS03_12287_scaled_LREM.sca
SPAG P43212
CELL 51.690000 51.680000 157.800000 90.000000 90.000000 90.000000
FIND 9
NTRY 20
MIND -3.5
eof

shelxd TS03_fa
shelxe TS03 TS03_fa -h -l4 -s0.46 -m20