P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 21.901926 8.258103 8.465973 90.000000 90.000000 90.000000 ATOM -1: X=0.12200000 Y=0.25000000 Z=0.38000000 MULT= 4 ISPLIT= 8 -1: X=0.87800000 Y=0.75000000 Z=0.62000000 -1: X=0.62200000 Y=0.25000000 Z=0.12000000 -1: X=0.37800000 Y=0.75000000 Z=0.88000000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 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=0.35000000 Y=0.25000000 Z=0.50200000 MULT= 4 ISPLIT= 8 -2: X=0.65000000 Y=0.75000000 Z=0.49800000 -2: X=0.85000000 Y=0.25000000 Z=0.99800000 -2: X=0.15000000 Y=0.75000000 Z=0.00200000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000