TITL neal054 in P2(1)
CELL 1.54178   6.25200  11.74150  13.03660  90.0000  96.7400  90.0000
ZERR    2.00   0.00040   0.00070   0.00070   0.0000   0.0024   0.0000
LATT -1
SYMM -X, 0.5+Y, -Z
SFAC C H N O I
UNIT 34 46 4 8 2
TEMP -173.150
SIZE 0.028 0.099 0.172
TREF
HKLF 4
END