P LATTICE,NONEQUIV.ATOMS 2 62 Pnma MODE OF CALC=RELA unit=bohr 11.578352 7.374089 11.954408 90.000000 90.000000 90.000000 ATOM -1: X=0.01100000 Y=0.25000000 Z=0.18600000 MULT= 4 ISPLIT= 8 -1: X=0.98900000 Y=0.75000000 Z=0.81400000 -1: X=0.51100000 Y=0.25000000 Z=0.31400000 -1: X=0.48900000 Y=0.75000000 Z=0.68600000 Pd NPT= 781 R0=.000010000 RMT= 2.48 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.18900000 Y=0.25000000 Z=0.59200000 MULT= 4 ISPLIT= 8 -2: X=0.81100000 Y=0.75000000 Z=0.40800000 -2: X=0.68900000 Y=0.25000000 Z=0.90800000 -2: X=0.31100000 Y=0.75000000 Z=0.09200000 Sn NPT= 781 R0=.000010000 RMT= 2.48 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000