NOTE refined by Systre from s246_FG.pgr TITL s246_FG_1_1_D_1 MODL 1 SPGR 229 CELL 20.000000 20.000000 20.000000 90.000000 90.000000 90.000000 VIEW 0.583 1.603 0.301 DCUE 0.2 0 1 BKCL 1 1 1 BRAD 0.8 0.9 COLS 1 SHCL 1 BNCL 0.5 0.41 0.95 BMAX H La 5.00500000 XYZR -0.1 1.1 -0.1 1.1 -0.1 1.1 TYPE H 0.010000 0.097510 0.677410 1.000000 La 0.010000 0.097510 0.677410 1.000000 ATOM H H 0.000000 0.000000 0.500000 H H -0.500000 0.000000 0.500000 La La -0.250000 0.000000 0.500000