P LATTICE,NONEQUIV.ATOMS 5 62 Pnma MODE OF CALC=RELA unit=bohr 15.616697 7.307571 26.675374 90.000000 90.000000 90.000000 ATOM -1: X=0.16600000 Y=0.25000000 Z=0.44800000 MULT= 4 ISPLIT= 8 -1: X=0.83400000 Y=0.75000000 Z=0.55200000 -1: X=0.66600000 Y=0.25000000 Z=0.05200000 -1: X=0.33400000 Y=0.75000000 Z=0.94800000 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=0.05500000 Y=0.25000000 Z=0.83000000 MULT= 4 ISPLIT= 8 -2: X=0.94500000 Y=0.75000000 Z=0.17000000 -2: X=0.55500000 Y=0.25000000 Z=0.67000000 -2: X=0.44500000 Y=0.75000000 Z=0.33000000 Sr NPT= 781 R0=.000010000 RMT= 2.32 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.02100000 Y=0.25000000 Z=0.60600000 MULT= 4 ISPLIT= 8 -3: X=0.97900000 Y=0.75000000 Z=0.39400000 -3: X=0.52100000 Y=0.25000000 Z=0.89400000 -3: X=0.47900000 Y=0.75000000 Z=0.10600000 S NPT= 781 R0=.000100000 RMT= 2.09 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.16100000 Y=0.25000000 Z=0.00300000 MULT= 4 ISPLIT= 8 -4: X=0.83900000 Y=0.75000000 Z=0.99700000 -4: X=0.66100000 Y=0.25000000 Z=0.49700000 -4: X=0.33900000 Y=0.75000000 Z=0.50300000 S NPT= 781 R0=.000100000 RMT= 2.09 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.28600000 Y=0.25000000 Z=0.28800000 MULT= 4 ISPLIT= 8 -5: X=0.71400000 Y=0.75000000 Z=0.71200000 -5: X=0.78600000 Y=0.25000000 Z=0.21200000 -5: X=0.21400000 Y=0.75000000 Z=0.78800000 S NPT= 781 R0=.000100000 RMT= 2.09 Z: 16.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000