P LATTICE,NONEQUIV.ATOMS 6 55 Pbam MODE OF CALC=RELA unit=bohr 18.664825 36.125895 8.666284 90.000000 90.000000 90.000000 ATOM -1: X=0.10279000 Y=0.41928000 Z=0.50000000 MULT= 4 ISPLIT= 8 -1: X=0.89721000 Y=0.58072000 Z=0.50000000 -1: X=0.39721000 Y=0.91928000 Z=0.50000000 -1: X=0.60279000 Y=0.08072000 Z=0.50000000 Tl NPT= 781 R0=.000005000 RMT= 2.50000 Z: 81.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.29303000 Y=0.20458000 Z=0.50000000 MULT= 4 ISPLIT= 8 -2: X=0.70697000 Y=0.79542000 Z=0.50000000 -2: X=0.20697000 Y=0.70458000 Z=0.50000000 -2: X=0.79303000 Y=0.29542000 Z=0.50000000 Tl NPT= 781 R0=.000005000 RMT= 2.50000 Z: 81.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.50000000 Y=0.50000000 Z=0.00000000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 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 -4: X=0.30550000 Y=0.05377000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.69450000 Y=0.94623000 Z=0.00000000 -4: X=0.19450000 Y=0.55377000 Z=0.00000000 -4: X=0.80550000 Y=0.44623000 Z=0.00000000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.43960000 Y=0.38452000 Z=0.50000000 MULT= 4 ISPLIT= 8 -5: X=0.56040000 Y=0.61548000 Z=0.50000000 -5: X=0.06040000 Y=0.88452000 Z=0.50000000 -5: X=0.93960000 Y=0.11548000 Z=0.50000000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.09290000 Y=0.28607000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.90710000 Y=0.71393000 Z=0.00000000 -6: X=0.40710000 Y=0.78607000 Z=0.00000000 -6: X=0.59290000 Y=0.21393000 Z=0.00000000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000