P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 10.040115 6.682072 13.795001 90.000000 90.000000 90.000000 ATOM -1: X=0.26400000 Y=0.25000000 Z=0.08000000 MULT= 4 ISPLIT= 8 -1: X=0.73600000 Y=0.75000000 Z=0.92000000 -1: X=0.76400000 Y=0.25000000 Z=0.42000000 -1: X=0.23600000 Y=0.75000000 Z=0.58000000 Sn NPT= 781 R0=.000010000 RMT= 2.07 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.38100000 Y=0.25000000 Z=0.38700000 MULT= 4 ISPLIT= 8 -2: X=0.61900000 Y=0.75000000 Z=0.61300000 -2: X=0.88100000 Y=0.25000000 Z=0.11300000 -2: X=0.11900000 Y=0.75000000 Z=0.88700000 O NPT= 781 R0=.000100000 RMT= 1.78 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.03000000 Y=0.25000000 Z=0.63400000 MULT= 4 ISPLIT= 8 -3: X=0.97000000 Y=0.75000000 Z=0.36600000 -3: X=0.53000000 Y=0.25000000 Z=0.86600000 -3: X=0.47000000 Y=0.75000000 Z=0.13400000 O NPT= 781 R0=.000100000 RMT= 1.78 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000