P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 35.162134 13.409497 12.494869 90.000000 90.000000 90.000000 ATOM -1: X=0.01810000 Y=0.25000000 Z=0.79050000 MULT= 4 ISPLIT= 8 -1: X=0.98190000 Y=0.75000000 Z=0.20950000 -1: X=0.51810000 Y=0.25000000 Z=0.70950000 -1: X=0.48190000 Y=0.75000000 Z=0.29050000 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 -2: X=0.29240000 Y=0.25000000 Z=0.05130000 MULT= 4 ISPLIT= 8 -2: X=0.70760000 Y=0.75000000 Z=0.94870000 -2: X=0.79240000 Y=0.25000000 Z=0.44870000 -2: X=0.20760000 Y=0.75000000 Z=0.55130000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.15910000 Y=0.25000000 Z=0.55750000 MULT= 4 ISPLIT= 8 -3: X=0.84090000 Y=0.75000000 Z=0.44250000 -3: X=0.65910000 Y=0.25000000 Z=0.94250000 -3: X=0.34090000 Y=0.75000000 Z=0.05750000 Se NPT= 781 R0=.000050000 RMT= 2.26 Z: 34.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.11770000 Y=0.50080000 Z=0.09720000 MULT= 8 ISPLIT= 8 -4: X=0.88230000 Y=0.49920000 Z=0.90280000 -4: X=0.61770000 Y=0.50080000 Z=0.40280000 -4: X=0.38230000 Y=0.49920000 Z=0.59720000 -4: X=0.38230000 Y=0.00080000 Z=0.59720000 -4: X=0.61770000 Y=0.99920000 Z=0.40280000 -4: X=0.88230000 Y=0.00080000 Z=0.90280000 -4: X=0.11770000 Y=0.99920000 Z=0.09720000 Se NPT= 781 R0=.000050000 RMT= 2.26 Z: 34.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.47900000 Y=0.25000000 Z=0.14960000 MULT= 4 ISPLIT= 8 -5: X=0.52100000 Y=0.75000000 Z=0.85040000 -5: X=0.97900000 Y=0.25000000 Z=0.35040000 -5: X=0.02100000 Y=0.75000000 Z=0.64960000 Se NPT= 781 R0=.000050000 RMT= 2.26 Z: 34.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.09500000 Y=0.25000000 Z=0.28000000 MULT= 4 ISPLIT= 8 -6: X=0.90500000 Y=0.75000000 Z=0.72000000 -6: X=0.59500000 Y=0.25000000 Z=0.22000000 -6: X=0.40500000 Y=0.75000000 Z=0.78000000 P NPT= 781 R0=.000100000 RMT= 1.85 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000