P LATTICE,NONEQUIV.ATOMS 8 55 Pbam MODE OF CALC=RELA unit=bohr 11.119149 22.257194 15.544887 90.000000 90.000000 90.000000 ATOM -1: X=0.20850000 Y=0.37000000 Z=0.50000000 MULT= 4 ISPLIT= 8 -1: X=0.79150000 Y=0.63000000 Z=0.50000000 -1: X=0.29150000 Y=0.87000000 Z=0.50000000 -1: X=0.70850000 Y=0.13000000 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=0.21170000 Y=0.37540000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.78830000 Y=0.62460000 Z=0.00000000 -2: X=0.28830000 Y=0.87540000 Z=0.00000000 -2: X=0.71170000 Y=0.12460000 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 -3: X=0.23953000 Y=0.12307000 Z=0.24900000 MULT= 8 ISPLIT= 8 -3: X=0.76047000 Y=0.87693000 Z=0.75100000 -3: X=0.23953000 Y=0.12307000 Z=0.75100000 -3: X=0.76047000 Y=0.87693000 Z=0.24900000 -3: X=0.26047000 Y=0.62307000 Z=0.24900000 -3: X=0.73953000 Y=0.37693000 Z=0.75100000 -3: X=0.26047000 Y=0.62307000 Z=0.75100000 -3: X=0.73953000 Y=0.37693000 Z=0.24900000 Zr NPT= 781 R0=.000010000 RMT= 2.01 Z: 40.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.26700000 Y=0.10020000 Z=0.50000000 MULT= 4 ISPLIT= 8 -4: X=0.73300000 Y=0.89980000 Z=0.50000000 -4: X=0.23300000 Y=0.60020000 Z=0.50000000 -4: X=0.76700000 Y=0.39980000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.82 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=0.26000000 Y=0.15630000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.74000000 Y=0.84370000 Z=0.00000000 -5: X=0.24000000 Y=0.65630000 Z=0.00000000 -5: X=0.76000000 Y=0.34370000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.82 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=0.00710000 Y=0.25197000 Z=0.27930000 MULT= 8 ISPLIT= 8 -6: X=0.99290000 Y=0.74803000 Z=0.72070000 -6: X=0.00710000 Y=0.25197000 Z=0.72070000 -6: X=0.99290000 Y=0.74803000 Z=0.27930000 -6: X=0.49290000 Y=0.75197000 Z=0.27930000 -6: X=0.50710000 Y=0.24803000 Z=0.72070000 -6: X=0.49290000 Y=0.75197000 Z=0.72070000 -6: X=0.50710000 Y=0.24803000 Z=0.27930000 O NPT= 781 R0=.000100000 RMT= 1.82 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=0.00000000 Y=0.50000000 Z=0.19800000 MULT= 4 ISPLIT= 8 -7: X=0.00000000 Y=0.50000000 Z=0.80200000 -7: X=0.50000000 Y=0.00000000 Z=0.19800000 -7: X=0.50000000 Y=0.00000000 Z=0.80200000 O NPT= 781 R0=.000100000 RMT= 1.82 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 -8: X=0.00000000 Y=0.00000000 Z=0.21800000 MULT= 4 ISPLIT= 8 -8: X=0.00000000 Y=0.00000000 Z=0.78200000 -8: X=0.50000000 Y=0.50000000 Z=0.21800000 -8: X=0.50000000 Y=0.50000000 Z=0.78200000 O NPT= 781 R0=.000100000 RMT= 1.82 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000