P LATTICE,NONEQUIV.ATOMS 5 62 Pnma MODE OF CALC=RELA unit=bohr 23.976845 22.378137 14.824902 90.000000 90.000000 90.000000 ATOM -1: X=0.14450000 Y=0.55320000 Z=0.39670000 MULT= 8 ISPLIT= 8 -1: X=0.85550000 Y=0.44680000 Z=0.60330000 -1: X=0.64450000 Y=0.55320000 Z=0.10330000 -1: X=0.35550000 Y=0.44680000 Z=0.89670000 -1: X=0.35550000 Y=0.05320000 Z=0.89670000 -1: X=0.64450000 Y=0.94680000 Z=0.10330000 -1: X=0.85550000 Y=0.05320000 Z=0.60330000 -1: X=0.14450000 Y=0.94680000 Z=0.39670000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.06430000 Y=0.25000000 Z=0.00240000 MULT= 4 ISPLIT= 8 -2: X=0.93570000 Y=0.75000000 Z=0.99760000 -2: X=0.56430000 Y=0.25000000 Z=0.49760000 -2: X=0.43570000 Y=0.75000000 Z=0.50240000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.42860000 Y=0.07010000 Z=0.41270000 MULT= 8 ISPLIT= 8 -3: X=0.57140000 Y=0.92990000 Z=0.58730000 -3: X=0.92860000 Y=0.07010000 Z=0.08730000 -3: X=0.07140000 Y=0.92990000 Z=0.91270000 -3: X=0.07140000 Y=0.57010000 Z=0.91270000 -3: X=0.92860000 Y=0.42990000 Z=0.08730000 -3: X=0.57140000 Y=0.57010000 Z=0.58730000 -3: X=0.42860000 Y=0.42990000 Z=0.41270000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.11910000 Y=0.25000000 Z=0.66860000 MULT= 4 ISPLIT= 8 -4: X=0.88090000 Y=0.75000000 Z=0.33140000 -4: X=0.61910000 Y=0.25000000 Z=0.83140000 -4: X=0.38090000 Y=0.75000000 Z=0.16860000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.22480000 Y=0.25000000 Z=0.23410000 MULT= 4 ISPLIT= 8 -5: X=0.77520000 Y=0.75000000 Z=0.76590000 -5: X=0.72480000 Y=0.25000000 Z=0.26590000 -5: X=0.27520000 Y=0.75000000 Z=0.73410000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000