P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 15.856314 8.003746 19.880486 90.000000 90.000000 90.000000 ATOM -1: X=0.01258000 Y=0.25000000 Z=0.68573000 MULT= 4 ISPLIT= 8 -1: X=0.98742000 Y=0.75000000 Z=0.31427000 -1: X=0.51258000 Y=0.25000000 Z=0.81427000 -1: X=0.48742000 Y=0.75000000 Z=0.18573000 Br NPT= 781 R0=.000050000 RMT= 2.50000 Z: 35.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.13295000 Y=0.25000000 Z=0.16546000 MULT= 4 ISPLIT= 8 -2: X=0.86705000 Y=0.75000000 Z=0.83454000 -2: X=0.63295000 Y=0.25000000 Z=0.33454000 -2: X=0.36705000 Y=0.75000000 Z=0.66546000 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 -3: X=0.33107000 Y=0.25000000 Z=0.44935000 MULT= 4 ISPLIT= 8 -3: X=0.66893000 Y=0.75000000 Z=0.55065000 -3: X=0.83107000 Y=0.25000000 Z=0.05065000 -3: X=0.16893000 Y=0.75000000 Z=0.94935000 Br NPT= 781 R0=.000050000 RMT= 2.50000 Z: 35.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000