TITL old_fa.ins SAD in P212121
CELL  0.98000   38.30   79.10   79.10   90.00   90.00   90.00
LATT  -1
SYMM 1/2-X, -Y, 1/2+Z
SYMM -X, 1/2+Y, 1/2-Z
SYMM 1/2+X, 1/2-Y, -Z
SFAC SE 
UNIT   128
SHEL 999 3 
FIND 4 
NTRY 100 
MIND -1.0 2.2 
ESEL 1.5 
TEST 0 99 
SEED 1 
PATS 
HKLF 3 
END
