TITL 01SRC630 in Pna2(1) CELL 0.71073 23.8680 8.3390 20.3780 90.000 90.000 90.000 ZERR 12.00 0.0050 0.0017 0.0040 0.000 0.000 0.000 LATT -1 SYMM - X, - Y, 1/2 + Z SYMM 1/2 - X, 1/2 + Y, 1/2 + Z SYMM 1/2 + X, 1/2 - Y, Z SFAC C H CL CU N O UNIT 288 576 36 36 108 144 MERG 2 SIZE 0.07 0.08 0.23 ACTA BOND $H L.S. 10 TEMP -153.00 WGHT 0.100000 FVAR 0.05993 AFIX 1 C1 1 0.040500 0.580500 0.173700 11.00000 0.02400 0.02400 = 0.01400 -0.00200 0.00200 -0.00100 C2 1 0.040700 0.754400 0.171000 11.00000 0.03800 0.02400 = 0.02500 -0.00200 0.00000 0.00200 C3 1 -0.081900 0.065800 0.162400 11.00000 0.03500 0.02400 = 0.00500 -0.00200 -0.00200 0.00800 C4 1 -0.135000 -0.008400 0.152600 11.00000 0.02200 0.03700 = 0.02600 -0.00100 0.00200 -0.00300 C5 1 0.099100 0.062700 0.055600 11.00000 0.03200 0.01900 = 0.03000 0.00700 -0.00400 0.00400 C6 1 0.122900 -0.008100 -0.003200 11.00000 0.03600 0.03300 = 0.01900 -0.00500 0.01000 0.01000 C7 1 0.100700 0.064600 0.302200 11.00000 0.01900 0.02100 = 0.02400 -0.00900 0.00600 -0.00300 C8 1 0.134200 -0.002800 0.356200 11.00000 0.03900 0.03100 = 0.02100 -0.00700 0.00000 0.00000 C9 1 0.112100 0.424600 -0.045600 11.00000 0.02600 0.01300 = 0.03000 0.00800 0.00200 -0.00200 C10 1 0.140600 0.501000 0.009000 11.00000 0.04200 0.03400 = 0.03400 -0.00300 -0.00200 -0.00100 C11 1 -0.076700 0.418400 -0.162500 11.00000 0.02400 0.01900 = 0.01700 -0.00500 -0.00200 -0.00200 C12 1 -0.132600 0.493000 -0.164500 11.00000 0.02300 0.02800 = 0.03700 -0.00600 -0.00400 -0.00100 C13 1 0.104800 0.433100 -0.284500 11.00000 0.01600 0.01800 = 0.02400 -0.00400 -0.00300 0.00600 C14 1 0.134400 0.519200 -0.335000 11.00000 0.04700 0.02900 = 0.02100 0.00700 0.01200 -0.00400 C15 1 0.045500 -0.096200 -0.161500 11.00000 0.02200 0.03400 = 0.01400 -0.00700 -0.00100 -0.00600 C16 1 0.042700 -0.271400 -0.162700 11.00000 0.03200 0.02200 = 0.02800 0.00000 -0.00300 -0.00200 C17 1 -0.083700 0.292700 0.005500 11.00000 0.02400 0.02100 = 0.01100 0.00500 -0.00200 0.00200 C18 1 -0.023800 0.315700 0.009700 11.00000 0.01900 0.03200 = 0.02900 -0.01400 -0.00400 -0.00200 C19 1 -0.269900 0.294500 0.128800 11.00000 0.01700 0.02200 = 0.03500 0.00300 -0.00900 0.00100 C20 1 -0.297900 0.322900 0.191100 11.00000 0.03300 0.03800 = 0.02800 -0.00400 0.00000 0.01700 C21 1 -0.272000 0.300200 -0.126700 11.00000 0.02500 0.01500 = 0.02500 -0.00800 0.00400 0.00000 C22 1 -0.301200 0.331300 -0.188300 11.00000 0.02500 0.03500 = 0.01500 0.00100 -0.01000 -0.00600 C23 1 -0.209900 -0.176800 0.001100 11.00000 0.02000 0.02100 = 0.01400 0.00300 0.00000 0.00000 C24 1 -0.210500 -0.351400 0.002700 11.00000 0.03700 0.01800 = 0.02500 0.00200 -0.00200 -0.00200 N1 5 0.040400 0.443100 0.175600 11.00000 0.02400 0.03300 = 0.01800 -0.00200 0.00000 0.00300 N2 5 -0.038700 0.123000 0.171200 11.00000 0.02500 0.03100 = 0.01700 0.00100 0.00100 0.00600 N3 5 0.080100 0.121800 0.100900 11.00000 0.02600 0.02600 = 0.02700 0.00000 -0.00200 0.00400 N4 5 0.075400 0.118300 0.260400 11.00000 0.01600 0.02700 = 0.02000 0.00200 0.00000 0.00200 N5 5 0.088900 0.363400 -0.087800 11.00000 0.02800 0.01800 = 0.02300 -0.00100 0.00200 -0.00100 N6 5 -0.033800 0.361500 -0.160600 11.00000 0.02700 0.02300 = 0.01700 0.00300 -0.00200 -0.00100 N7 5 0.080200 0.367600 -0.244500 11.00000 0.01800 0.02900 = 0.02300 -0.00100 0.00000 0.00700 N8 5 0.045800 0.041000 -0.162300 11.00000 0.03000 0.02500 = 0.02400 -0.00100 0.00100 0.00300 N9 5 -0.130200 0.271500 0.002100 11.00000 0.03200 0.02400 = 0.01700 -0.00100 0.00200 0.00200 N10 5 -0.248000 0.270700 0.081100 11.00000 0.03100 0.02300 = 0.02000 -0.00700 0.00800 0.00000 N11 5 -0.249200 0.276700 -0.078900 11.00000 0.02600 0.02300 = 0.02900 -0.00400 -0.00500 -0.00200 N12 5 -0.209800 -0.040200 -0.000100 11.00000 0.02500 0.02700 = 0.01400 -0.00800 0.00100 0.00200 CL1 3 -0.296600 0.778400 0.167200 11.00000 0.02700 0.02400 = 0.02100 -0.00100 0.00100 -0.00300 CL2 3 -0.042000 0.767400 0.003400 11.00000 0.02600 0.02300 = 0.02700 -0.00400 0.00000 -0.00100 CL3 3 -0.294100 0.776200 -0.162000 11.00000 0.02500 0.02400 = 0.01800 0.00300 0.00300 0.00100 CU1 4 0.039400 0.206400 0.179700 11.00000 0.02700 0.02600 = 0.02000 -0.00200 -0.00100 0.00300 CU2 4 -0.209500 0.199800 0.000300 11.00000 0.02500 0.02300 = 0.01900 -0.00100 0.00100 0.00000 CU3 4 0.044600 0.277000 -0.163100 11.00000 0.02400 0.02300 = 0.02400 0.00000 0.00000 -0.00100 O1 6 -0.326200 0.712900 0.112400 11.00000 0.04500 0.07000 = 0.02400 -0.00600 -0.00700 -0.01700 O2 6 -0.239600 0.730000 0.162500 11.00000 0.03000 0.11600 = 0.02800 -0.01300 -0.00100 0.00300 O3 6 -0.319800 0.718100 0.227900 11.00000 0.04400 0.04000 = 0.02000 0.00600 0.01000 -0.00400 O4 6 -0.300700 0.944800 0.167600 11.00000 0.14200 0.02400 = 0.07900 0.00000 0.00100 0.00100 O5 6 -0.069400 0.700700 -0.052300 11.00000 0.03900 0.05500 = 0.03300 -0.01800 -0.01200 -0.00700 O6 6 0.015400 0.718500 0.003800 11.00000 0.02700 0.06500 = 0.03900 -0.00500 -0.00400 0.00300 O7 6 -0.068600 0.708600 0.061900 11.00000 0.03700 0.09100 = 0.02400 0.00500 0.01500 0.00000 O8 6 -0.045400 0.937000 0.003100 11.00000 0.10400 0.02300 = 0.08800 0.00100 -0.02200 -0.01000 O9 6 -0.240200 0.702400 -0.159100 11.00000 0.03000 0.04600 = 0.02600 0.00200 -0.00400 0.01300 O10 6 -0.323100 0.722200 -0.219100 11.00000 0.04200 0.04200 = 0.02400 0.00500 -0.01100 -0.00400 O11 6 -0.325700 0.731200 -0.104400 11.00000 0.03500 0.09000 = 0.02400 0.01900 0.01300 -0.00400 O12 6 -0.287800 0.946200 -0.164700 11.00000 0.06500 0.01900 = 0.08500 0.00200 -0.01800 -0.00700 HKLF 4 END