P LATTICE,NONEQUIV.ATOMS 7 55 Pbam MODE OF CALC=RELA unit=bohr 23.587562 26.715058 8.019998 90.000000 90.000000 90.000000 ATOM -1: X=0.12106000 Y=0.24155000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.87894000 Y=0.75845000 Z=0.00000000 -1: X=0.37894000 Y=0.74155000 Z=0.00000000 -1: X=0.62106000 Y=0.25845000 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.37091000 Y=0.06835000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.62909000 Y=0.93165000 Z=0.00000000 -2: X=0.12909000 Y=0.56835000 Z=0.00000000 -2: X=0.87091000 Y=0.43165000 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 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= 2 ISPLIT= 8 -3: X=0.50000000 Y=0.50000000 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.28548000 Y=0.39549000 Z=0.50000000 MULT= 4 ISPLIT= 8 -4: X=0.71452000 Y=0.60451000 Z=0.50000000 -4: X=0.21452000 Y=0.89549000 Z=0.50000000 -4: X=0.78548000 Y=0.10451000 Z=0.50000000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.07675000 Y=0.39704000 Z=0.50000000 MULT= 4 ISPLIT= 8 -5: X=0.92325000 Y=0.60296000 Z=0.50000000 -5: X=0.42325000 Y=0.89704000 Z=0.50000000 -5: X=0.57675000 Y=0.10296000 Z=0.50000000 As NPT= 781 R0=.000050000 RMT= 2.39 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=0.17039000 Y=0.07710000 Z=0.50000000 MULT= 4 ISPLIT= 8 -6: X=0.82961000 Y=0.92290000 Z=0.50000000 -6: X=0.32961000 Y=0.57710000 Z=0.50000000 -6: X=0.67039000 Y=0.42290000 Z=0.50000000 As NPT= 781 R0=.000050000 RMT= 2.39 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 -7: X=0.36831000 Y=0.30433000 Z=0.00000000 MULT= 4 ISPLIT= 8 -7: X=0.63169000 Y=0.69567000 Z=0.00000000 -7: X=0.13169000 Y=0.80433000 Z=0.00000000 -7: X=0.86831000 Y=0.19567000 Z=0.00000000 As NPT= 781 R0=.000050000 RMT= 2.39 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000