P LATTICE,NONEQUIV.ATOMS 7 19 P212121 MODE OF CALC=RELA unit=bohr 9.725476 17.033991 17.602799 90.000000 90.000000 90.000000 ATOM -1: X=0.01010000 Y=0.44440000 Z=0.08425000 MULT= 4 ISPLIT= 8 -1: X=0.48990000 Y=0.55560000 Z=0.58425000 -1: X=0.51010000 Y=0.05560000 Z=0.91575000 -1: X=0.98990000 Y=0.94440000 Z=0.41575000 Pb NPT= 781 R0=.000005000 RMT= 2.19 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.53270000 Y=0.24390000 Z=0.34664000 MULT= 4 ISPLIT= 8 -2: X=0.96730000 Y=0.75610000 Z=0.84664000 -2: X=0.03270000 Y=0.25610000 Z=0.65336000 -2: X=0.46730000 Y=0.74390000 Z=0.15336000 Pb NPT= 781 R0=.000005000 RMT= 2.19 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00900000 Y=0.00800000 Z=0.10200000 MULT= 4 ISPLIT= 8 -3: X=0.49100000 Y=0.99200000 Z=0.60200000 -3: X=0.50900000 Y=0.49200000 Z=0.89800000 -3: X=0.99100000 Y=0.50800000 Z=0.39800000 C NPT= 781 R0=.000100000 RMT= 1.11 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.21400000 Y=0.51500000 Z=0.33800000 MULT= 4 ISPLIT= 8 -4: X=0.28600000 Y=0.48500000 Z=0.83800000 -4: X=0.71400000 Y=0.98500000 Z=0.66200000 -4: X=0.78600000 Y=0.01500000 Z=0.16200000 O NPT= 781 R0=.000100000 RMT= 1.22 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.22200000 Y=0.00200000 Z=0.16400000 MULT= 4 ISPLIT= 8 -5: X=0.27800000 Y=0.99800000 Z=0.66400000 -5: X=0.72200000 Y=0.49800000 Z=0.83600000 -5: X=0.77800000 Y=0.50200000 Z=0.33600000 O NPT= 781 R0=.000100000 RMT= 1.22 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.51600000 Y=0.48000000 Z=0.04500000 MULT= 4 ISPLIT= 8 -6: X=0.98400000 Y=0.52000000 Z=0.54500000 -6: X=0.01600000 Y=0.02000000 Z=0.95500000 -6: X=0.48400000 Y=0.98000000 Z=0.45500000 O NPT= 781 R0=.000100000 RMT= 1.22 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.04300000 Y=0.67900000 Z=0.07200000 MULT= 4 ISPLIT= 8 -7: X=0.45700000 Y=0.32100000 Z=0.57200000 -7: X=0.54300000 Y=0.82100000 Z=0.92800000 -7: X=0.95700000 Y=0.17900000 Z=0.42800000 O NPT= 781 R0=.000100000 RMT= 1.22 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000