P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 21.082541 7.738806 7.990518 90.000000 90.000000 90.000000 ATOM -1: X=0.11650000 Y=0.25000000 Z=0.06990000 MULT= 4 ISPLIT= 8 -1: X=0.88350000 Y=0.75000000 Z=0.93010000 -1: X=0.61650000 Y=0.25000000 Z=0.43010000 -1: X=0.38350000 Y=0.75000000 Z=0.56990000 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=0.35890000 Y=0.25000000 Z=0.02120000 MULT= 4 ISPLIT= 8 -2: X=0.64110000 Y=0.75000000 Z=0.97880000 -2: X=0.85890000 Y=0.25000000 Z=0.47880000 -2: X=0.14110000 Y=0.75000000 Z=0.52120000 Se NPT= 781 R0=.000050000 RMT= 2.48 Z: 34.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000