P LATTICE,NONEQUIV.ATOMS 5 62 Pnma MODE OF CALC=RELA unit=bohr 19.244971 8.970530 32.709270 90.000000 90.000000 90.000000 ATOM -1: X=0.16058000 Y=0.25000000 Z=0.43858000 MULT= 4 ISPLIT= 8 -1: X=0.83942000 Y=0.75000000 Z=0.56142000 -1: X=0.66058000 Y=0.25000000 Z=0.06142000 -1: X=0.33942000 Y=0.75000000 Z=0.93858000 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=0.30261000 Y=0.25000000 Z=0.28877000 MULT= 4 ISPLIT= 8 -2: X=0.69739000 Y=0.75000000 Z=0.71123000 -2: X=0.80261000 Y=0.25000000 Z=0.21123000 -2: X=0.19739000 Y=0.75000000 Z=0.78877000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.02698000 Y=0.25000000 Z=0.61978000 MULT= 4 ISPLIT= 8 -3: X=0.97302000 Y=0.75000000 Z=0.38022000 -3: X=0.52698000 Y=0.25000000 Z=0.88022000 -3: X=0.47302000 Y=0.75000000 Z=0.11978000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.16239000 Y=0.25000000 Z=0.00503000 MULT= 4 ISPLIT= 8 -4: X=0.83761000 Y=0.75000000 Z=0.99497000 -4: X=0.66239000 Y=0.25000000 Z=0.49497000 -4: X=0.33761000 Y=0.75000000 Z=0.50503000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.41300000 Y=0.25000000 Z=0.67107000 MULT= 4 ISPLIT= 8 -5: X=0.58700000 Y=0.75000000 Z=0.32893000 -5: X=0.91300000 Y=0.25000000 Z=0.82893000 -5: X=0.08700000 Y=0.75000000 Z=0.17107000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000