FILEID collect Mon Apr 4 0 4.00 10/16/06 15:06:49 2006slh0985 SITEID Southampton TITLE /diska/2006slh0985 CHEM C44 H48 N2 O4 P2 S4 Fe1 Ni1 CELL 9.1961 10.5439 12.5033 113.9482 98.2017 95.7319 1079.842 CELLSD 0.0003 0.0004 0.0004 0.0017 0.0021 0.0021 0.067 ORT1 -2.7622824e-02 -4.5901411e-02 5.2013330e-02 ORT2 8.2647825e-02 -5.5220344e-02 -1.7476636e-02 ORT3 6.9423272e-02 7.7100882e-02 7.0507116e-02 SOURCE MO 0.71073 0.70930 0.71359 2.00000 0.00 0.00 LIMITS -45.00 60.00 -210.00 210.00 -360.00 360.00 -100.00 100.00 -360.00 360.00 MORPH Block DNSMET ? CCOLOR Light Brown CSIZE 0.24 x 0.08 x 0.06 ADPAR 312.5000 288.0000 3.000000000512 ADCOR -0.1347 0.2257 0.0000 -0.4055 -0.2682 -0.6501 BRAVAIS Triclinic P