P LATTICE,NONEQUIV.ATOMS 9 7 Pb MODE OF CALC=RELA unit=bohr 10.902208 8.023210 10.738558 90.000000 90.000000121.525000 ATOM -1: X=0.09315000 Y=0.36613000 Z=0.22280000 MULT= 2 ISPLIT= 8 -1: X=0.09315000 Y=0.86613000 Z=0.77720000 C NPT= 781 R0=.000100000 RMT= 1.02 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 -2: X=0.63731000 Y=0.40682000 Z=0.04377000 MULT= 2 ISPLIT= 8 -2: X=0.63731000 Y=0.90682000 Z=0.95623000 O NPT= 781 R0=.000100000 RMT= 0.81 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 -3: X=0.10402000 Y=0.70240000 Z=0.31868000 MULT= 2 ISPLIT= 8 -3: X=0.10402000 Y=0.20240000 Z=0.68132000 O NPT= 781 R0=.000100000 RMT= 0.81 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 -4: X=0.32116000 Y=0.33593000 Z=0.33589000 MULT= 2 ISPLIT= 8 -4: X=0.32116000 Y=0.83593000 Z=0.66411000 O NPT= 781 R0=.000100000 RMT= 0.81 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=0.31647000 Y=0.01834000 Z=0.72513000 MULT= 2 ISPLIT= 8 -5: X=0.31647000 Y=0.51834000 Z=0.27487000 O NPT= 781 R0=.000100000 RMT= 0.81 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=0.00000000 Y=0.00000000 Z=0.55401000 MULT= 2 ISPLIT= 8 -6: X=0.00000000 Y=0.50000000 Z=0.44599000 Li NPT= 781 R0=.000100000 RMT= 0.88 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.44293000 Y=0.78995000 Z=0.13209000 MULT= 2 ISPLIT= 8 -7: X=0.44293000 Y=0.28995000 Z=0.86791000 Li NPT= 781 R0=.000100000 RMT= 0.88 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.24267000 Y=0.04558000 Z=0.05177000 MULT= 2 ISPLIT= 8 -8: X=0.24267000 Y=0.54558000 Z=0.94823000 Li NPT= 781 R0=.000100000 RMT= 0.88 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.20346000 Y=0.51474000 Z=0.60528000 MULT= 2 ISPLIT= 8 -9: X=0.20346000 Y=0.01474000 Z=0.39472000 Li NPT= 781 R0=.000100000 RMT= 0.88 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000