P LATTICE,NONEQUIV.ATOMS 10 55 Pbam MODE OF CALC=RELA unit=bohr 28.364789 29.404139 7.687406 90.000000 90.000000 90.000000 ATOM -1: X=0.37360000 Y=0.42880000 Z=0.50000000 MULT= 4 ISPLIT= 8 -1: X=0.62640000 Y=0.57120000 Z=0.50000000 -1: X=0.12640000 Y=0.92880000 Z=0.50000000 -1: X=0.87360000 Y=0.07120000 Z=0.50000000 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 -2: X=0.26040000 Y=0.18110000 Z=0.50000000 MULT= 4 ISPLIT= 8 -2: X=0.73960000 Y=0.81890000 Z=0.50000000 -2: X=0.23960000 Y=0.68110000 Z=0.50000000 -2: X=0.76040000 Y=0.31890000 Z=0.50000000 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 -3: X=0.12300000 Y=0.48050000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.87700000 Y=0.51950000 Z=0.00000000 -3: X=0.37700000 Y=0.98050000 Z=0.00000000 -3: X=0.62300000 Y=0.01950000 Z=0.00000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00670000 Y=0.27190000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.99330000 Y=0.72810000 Z=0.00000000 -4: X=0.49330000 Y=0.77190000 Z=0.00000000 -4: X=0.50670000 Y=0.22810000 Z=0.00000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.50000000 Y=0.50000000 Z=0.00000000 S NPT= 781 R0=.000100000 RMT= 2.06 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.35680000 Y=0.28980000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.64320000 Y=0.71020000 Z=0.00000000 -6: X=0.14320000 Y=0.78980000 Z=0.00000000 -6: X=0.85680000 Y=0.21020000 Z=0.00000000 S NPT= 781 R0=.000100000 RMT= 2.06 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.23210000 Y=0.05130000 Z=0.00000000 MULT= 4 ISPLIT= 8 -7: X=0.76790000 Y=0.94870000 Z=0.00000000 -7: X=0.26790000 Y=0.55130000 Z=0.00000000 -7: X=0.73210000 Y=0.44870000 Z=0.00000000 S NPT= 781 R0=.000100000 RMT= 2.06 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.18240000 Y=0.37910000 Z=0.50000000 MULT= 4 ISPLIT= 8 -8: X=0.81760000 Y=0.62090000 Z=0.50000000 -8: X=0.31760000 Y=0.87910000 Z=0.50000000 -8: X=0.68240000 Y=0.12090000 Z=0.50000000 S NPT= 781 R0=.000100000 RMT= 2.06 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.42930000 Y=0.10430000 Z=0.50000000 MULT= 4 ISPLIT= 8 -9: X=0.57070000 Y=0.89570000 Z=0.50000000 -9: X=0.07070000 Y=0.60430000 Z=0.50000000 -9: X=0.92930000 Y=0.39570000 Z=0.50000000 S NPT= 781 R0=.000100000 RMT= 2.06 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.05130000 Y=0.17240000 Z=0.50000000 MULT= 4 ISPLIT= 8 -10: X=0.94870000 Y=0.82760000 Z=0.50000000 -10: X=0.44870000 Y=0.67240000 Z=0.50000000 -10: X=0.55130000 Y=0.32760000 Z=0.50000000 S NPT= 781 R0=.000100000 RMT= 2.06 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000