NOTE refined by Systre from remaining3.pgr TITL net_11038_s4444_FSGG_2_1_D_0 MODL 1 SPGR 227 CELL 23.094000 23.094000 23.094000 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 5.00499767 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 0.375000 0.375000 0.375000 H H 0.625000 0.625000 0.625000 La La 0.500000 0.500000 0.500000