TITL neal054 in P2(1)   
CELL 1.54178   6.25720  11.76300  13.03870  90.0000  96.6572  90.0000
ZERR    2.00   0.00050   0.00090   0.00100   0.0000   0.0000   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 
