TITL I4122_p9_fa.ins SAD in I4122
CELL  0.98000  113.95  113.95   32.47   90.00   90.00   90.00
LATT  -2
SYMM -Y, 1/2+X, 1/4+Z
SYMM 1/2-X, 1/2-Y, 1/2+Z
SYMM 1/2+Y, -X, 3/4+Z
SYMM 1/2-X, Y, 3/4-Z
SYMM 1/2+Y, 1/2+X, 1/2-Z
SYMM X, 1/2-Y, 1/4-Z
SYMM -Y, -X, -Z
SFAC Se
UNIT   320
SHEL 999 2.2
PATS
FIND 5
MIND -1.5 -0.1
NTRY 1000
SEED 1
HKLF 3
END 
