P LATTICE,NONEQUIV.ATOMS 8 62 Pnma MODE OF CALC=RELA unit=bohr 36.757063 22.986629 12.436288 90.000000 90.000000 90.000000 ATOM -1: X=0.45565000 Y=0.11826000 Z=0.02060000 MULT= 8 ISPLIT= 8 -1: X=0.54435000 Y=0.88174000 Z=0.97940000 -1: X=0.95565000 Y=0.11826000 Z=0.47940000 -1: X=0.04435000 Y=0.88174000 Z=0.52060000 -1: X=0.04435000 Y=0.61826000 Z=0.52060000 -1: X=0.95565000 Y=0.38174000 Z=0.47940000 -1: X=0.54435000 Y=0.61826000 Z=0.97940000 -1: X=0.45565000 Y=0.38174000 Z=0.02060000 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=0.30651000 Y=0.25000000 Z=0.06030000 MULT= 4 ISPLIT= 8 -2: X=0.69349000 Y=0.75000000 Z=0.93970000 -2: X=0.80651000 Y=0.25000000 Z=0.43970000 -2: X=0.19349000 Y=0.75000000 Z=0.56030000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.04330000 Y=0.25000000 Z=0.24100000 MULT= 4 ISPLIT= 8 -3: X=0.95670000 Y=0.75000000 Z=0.75900000 -3: X=0.54330000 Y=0.25000000 Z=0.25900000 -3: X=0.45670000 Y=0.75000000 Z=0.74100000 As NPT= 781 R0=.000050000 RMT= 2.46 Z: 33.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.34740000 Y=0.05340000 Z=0.26390000 MULT= 8 ISPLIT= 8 -4: X=0.65260000 Y=0.94660000 Z=0.73610000 -4: X=0.84740000 Y=0.05340000 Z=0.23610000 -4: X=0.15260000 Y=0.94660000 Z=0.76390000 -4: X=0.15260000 Y=0.55340000 Z=0.76390000 -4: X=0.84740000 Y=0.44660000 Z=0.23610000 -4: X=0.65260000 Y=0.55340000 Z=0.73610000 -4: X=0.34740000 Y=0.44660000 Z=0.26390000 As NPT= 781 R0=.000050000 RMT= 2.46 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.50000000 Y=0.00000000 Z=0.50000000 -5: X=0.50000000 Y=0.50000000 Z=0.50000000 -5: X=0.00000000 Y=0.50000000 Z=0.00000000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.39670000 Y=0.25000000 Z=0.55000000 MULT= 4 ISPLIT= 8 -6: X=0.60330000 Y=0.75000000 Z=0.45000000 -6: X=0.89670000 Y=0.25000000 Z=0.95000000 -6: X=0.10330000 Y=0.75000000 Z=0.05000000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.17880000 Y=0.04550000 Z=0.27070000 MULT= 8 ISPLIT= 8 -7: X=0.82120000 Y=0.95450000 Z=0.72930000 -7: X=0.67880000 Y=0.04550000 Z=0.22930000 -7: X=0.32120000 Y=0.95450000 Z=0.77070000 -7: X=0.32120000 Y=0.54550000 Z=0.77070000 -7: X=0.67880000 Y=0.45450000 Z=0.22930000 -7: X=0.82120000 Y=0.54550000 Z=0.72930000 -7: X=0.17880000 Y=0.45450000 Z=0.27070000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.13150000 Y=0.25000000 Z=0.73900000 MULT= 4 ISPLIT= 8 -8: X=0.86850000 Y=0.75000000 Z=0.26100000 -8: X=0.63150000 Y=0.25000000 Z=0.76100000 -8: X=0.36850000 Y=0.75000000 Z=0.23900000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000