P LATTICE,NONEQUIV.ATOMS 4 55 Pbam MODE OF CALC=RELA unit=bohr 10.521617 18.694116 6.034273 90.000000 90.000000 90.000000 ATOM -1: X=0.05840000 Y=0.32240000 Z=0.50000000 MULT= 4 ISPLIT= 8 -1: X=0.94160000 Y=0.67760000 Z=0.50000000 -1: X=0.44160000 Y=0.82240000 Z=0.50000000 -1: X=0.55840000 Y=0.17760000 Z=0.50000000 Cd NPT= 781 R0=.000010000 RMT= 2.26 Z: 48.00000 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= 8 -2: X=0.50000000 Y=0.50000000 Z=0.00000000 Sn NPT= 781 R0=.000010000 RMT= 2.02 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=0.23300000 Y=0.04500000 Z=0.50000000 MULT= 4 ISPLIT= 8 -3: X=0.76700000 Y=0.95500000 Z=0.50000000 -3: X=0.26700000 Y=0.54500000 Z=0.50000000 -3: X=0.73300000 Y=0.45500000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.74 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 -4: X=0.36900000 Y=0.31200000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.63100000 Y=0.68800000 Z=0.00000000 -4: X=0.13100000 Y=0.81200000 Z=0.00000000 -4: X=0.86900000 Y=0.18800000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.74 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000