P LATTICE,NONEQUIV.ATOMS 10 81 P-4 MODE OF CALC=RELA unit=bohr 13.519290 13.519290 18.447507 90.000000 90.000000 90.000000 ATOM -1: X=0.69810000 Y=0.30180000 Z=0.17417000 MULT= 4 ISPLIT= 8 -1: X=0.30180000 Y=0.30190000 Z=0.82583000 -1: X=0.30190000 Y=0.69820000 Z=0.17417000 -1: X=0.69820000 Y=0.69810000 Z=0.82583000 Pb NPT= 781 R0=.000005000 RMT= 2.26 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=0.00000000 Y=0.50000000 Z=0.49990000 MULT= 2 ISPLIT= 8 -2: X=0.50000000 Y=0.00000000 Z=0.50010000 Pb NPT= 781 R0=.000005000 RMT= 2.26 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT=-2 B NPT= 781 R0=.000100000 RMT= 1.31 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.20200000 Y=0.20140000 Z=0.21160000 MULT= 4 ISPLIT= 8 -4: X=0.20140000 Y=0.79800000 Z=0.78840000 -4: X=0.79800000 Y=0.79860000 Z=0.21160000 -4: X=0.79860000 Y=0.20200000 Z=0.78840000 As NPT= 781 R0=.000050000 RMT= 1.67 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.50000000 Y=0.50000000 Z=0.50000000 MULT= 1 ISPLIT=-2 As NPT= 781 R0=.000050000 RMT= 1.67 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.36580000 Y=0.35150000 Z=0.59230000 MULT= 4 ISPLIT= 8 -6: X=0.35150000 Y=0.63420000 Z=0.40770000 -6: X=0.63420000 Y=0.64850000 Z=0.59230000 -6: X=0.64850000 Y=0.36580000 Z=0.40770000 O NPT= 781 R0=.000100000 RMT= 1.51 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=0.36170000 Y=0.36260000 Z=0.15360000 MULT= 4 ISPLIT= 8 -7: X=0.36260000 Y=0.63830000 Z=0.84640000 -7: X=0.63830000 Y=0.63740000 Z=0.15360000 -7: X=0.63740000 Y=0.36170000 Z=0.84640000 O NPT= 781 R0=.000100000 RMT= 1.51 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=0.00540000 Y=0.33710000 Z=0.23870000 MULT= 4 ISPLIT= 8 -8: X=0.33710000 Y=0.99460000 Z=0.76130000 -8: X=0.99460000 Y=0.66290000 Z=0.23870000 -8: X=0.66290000 Y=0.00540000 Z=0.76130000 O NPT= 781 R0=.000100000 RMT= 1.51 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 -9: X=0.05080000 Y=0.17290000 Z=0.07900000 MULT= 4 ISPLIT= 8 -9: X=0.17290000 Y=0.94920000 Z=0.92100000 -9: X=0.94920000 Y=0.82710000 Z=0.07900000 -9: X=0.82710000 Y=0.05080000 Z=0.92100000 O NPT= 781 R0=.000100000 RMT= 1.51 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 -10: X=0.29900000 Y=0.06700000 Z=0.33840000 MULT= 4 ISPLIT= 8 -10: X=0.06700000 Y=0.70100000 Z=0.66160000 -10: X=0.70100000 Y=0.93300000 Z=0.33840000 -10: X=0.93300000 Y=0.29900000 Z=0.66160000 O NPT= 781 R0=.000100000 RMT= 1.51 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000