P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 18.817893 13.002828 8.656835 90.000000 90.000000 90.000000 ATOM -1: X=0.10400000 Y=0.25000000 Z=0.29880000 MULT= 4 ISPLIT=15 -1: X=0.89600000 Y=0.75000000 Z=0.70120000 -1: X=0.60400000 Y=0.25000000 Z=0.20120000 -1: X=0.39600000 Y=0.75000000 Z=0.79880000 U NPT= 781 R0=.000005000 RMT= 2.00000 Z: 92.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.37610000 Y=0.25000000 Z=0.51910000 MULT= 4 ISPLIT=15 -2: X=0.62390000 Y=0.75000000 Z=0.48090000 -2: X=0.87610000 Y=0.25000000 Z=0.98090000 -2: X=0.12390000 Y=0.75000000 Z=0.01910000 Pd NPT= 781 R0=.000010000 RMT= 2.00000 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.32490000 Y=0.25000000 Z=0.04580000 MULT= 4 ISPLIT=15 -3: X=0.67510000 Y=0.75000000 Z=0.95420000 -3: X=0.82490000 Y=0.25000000 Z=0.45420000 -3: X=0.17510000 Y=0.75000000 Z=0.54580000 Pd NPT= 781 R0=.000010000 RMT= 2.00000 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.13150000 Y=0.25000000 Z=0.77670000 MULT= 4 ISPLIT=15 -4: X=0.86850000 Y=0.75000000 Z=0.22330000 -4: X=0.63150000 Y=0.25000000 Z=0.72330000 -4: X=0.36850000 Y=0.75000000 Z=0.27670000 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