P LATTICE,NONEQUIV.ATOMS 6 55 Pbam MODE OF CALC=RELA unit=bohr 15.006315 17.224854 11.916613 90.000000 90.000000 90.000000 ATOM -1: X=0.39070000 Y=0.17270000 Z=0.50000000 MULT= 4 ISPLIT= 8 -1: X=0.60930000 Y=0.82730000 Z=0.50000000 -1: X=0.10930000 Y=0.67270000 Z=0.50000000 -1: X=0.89070000 Y=0.32730000 Z=0.50000000 Pb NPT= 781 R0=.000005000 RMT= 2.25 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=0.13990000 Y=0.34350000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.86010000 Y=0.65650000 Z=0.00000000 -2: X=0.36010000 Y=0.84350000 Z=0.00000000 -2: X=0.63990000 Y=0.15650000 Z=0.00000000 Pb NPT= 781 R0=.000005000 RMT= 2.25 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=0.24900000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.00000000 Z=0.75100000 -3: X=0.50000000 Y=0.50000000 Z=0.24900000 -3: X=0.50000000 Y=0.50000000 Z=0.75100000 Pt NPT= 781 R0=.000005000 RMT= 2.11 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.33200000 Y=0.33100000 Z=0.25300000 MULT= 8 ISPLIT= 8 -4: X=0.66800000 Y=0.66900000 Z=0.74700000 -4: X=0.33200000 Y=0.33100000 Z=0.74700000 -4: X=0.66800000 Y=0.66900000 Z=0.25300000 -4: X=0.16800000 Y=0.83100000 Z=0.25300000 -4: X=0.83200000 Y=0.16900000 Z=0.74700000 -4: X=0.16800000 Y=0.83100000 Z=0.74700000 -4: X=0.83200000 Y=0.16900000 Z=0.25300000 O NPT= 781 R0=.000100000 RMT= 1.72 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=0.12900000 Y=0.09200000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.87100000 Y=0.90800000 Z=0.00000000 -5: X=0.37100000 Y=0.59200000 Z=0.00000000 -5: X=0.62900000 Y=0.40800000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.72 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=0.11000000 Y=0.11000000 Z=0.50000000 MULT= 4 ISPLIT= 8 -6: X=0.89000000 Y=0.89000000 Z=0.50000000 -6: X=0.39000000 Y=0.61000000 Z=0.50000000 -6: X=0.61000000 Y=0.39000000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.72 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000