P LATTICE,NONEQUIV.ATOMS 5 55 Pbam MODE OF CALC=RELA unit=bohr 14.957182 21.202727 7.483315 90.000000 90.000000 90.000000 ATOM -1: X=0.07434000 Y=0.33106000 Z=0.50000000 MULT= 4 ISPLIT=15 -1: X=0.92566000 Y=0.66894000 Z=0.50000000 -1: X=0.42566000 Y=0.83106000 Z=0.50000000 -1: X=0.57434000 Y=0.16894000 Z=0.50000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=15 -2: X=0.50000000 Y=0.50000000 Z=0.00000000 Sn NPT= 781 R0=.000010000 RMT= 2.00000 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 -3: X=0.00000000 Y=0.50000000 Z=0.00000000 MULT= 2 ISPLIT=15 -3: X=0.50000000 Y=0.00000000 Z=0.00000000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.35710000 Y=0.29840000 Z=0.00000000 MULT= 4 ISPLIT=15 -4: X=0.64290000 Y=0.70160000 Z=0.00000000 -4: X=0.14290000 Y=0.79840000 Z=0.00000000 -4: X=0.85710000 Y=0.20160000 Z=0.00000000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.18690000 Y=0.06940000 Z=0.50000000 MULT= 4 ISPLIT=15 -5: X=0.81310000 Y=0.93060000 Z=0.50000000 -5: X=0.31310000 Y=0.56940000 Z=0.50000000 -5: X=0.68690000 Y=0.43060000 Z=0.50000000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000