TITL SHELXL INS file, from DIRDIF output for LITI CELL 1.54184 14.09600 2.95200 4.89170 90.0000 92.1700 90.0000 ZERR 2 0.00200 0.00200 0.00100 0.0010 0.0500 0.0500 LATT 7 SYMM -X,Y,-Z SFAC LI O TI UNIT 2 12 6 MERG 2 L.S. 4 LIST 3 FMAP 2 PLAN 25 WGHT 0.100000 FVAR 0.48941 TI1 3 0.000000 0.000000 0.000000 10.25000 0.05811 TI2 3 1.144282 0.500000 0.520498 10.50000 0.03427 O3 2 1.094371 0.000000 0.256022 10.50000 0.05397 O4 2 1.227591 1.000000 0.687662 10.50000 0.13380 O5 2 1.081518 0.500000 0.899902 10.50000 0.00001 HKLF 4 END