P LATTICE,NONEQUIV.ATOMS 3 19 P212121 MODE OF CALC=RELA unit=bohr 9.427655 9.711681 16.020531 90.000000 90.000000 90.000000 ATOM -1: X=0.27400000 Y=0.02300000 Z=0.13000000 MULT= 4 ISPLIT= 8 -1: X=0.22600000 Y=0.97700000 Z=0.63000000 -1: X=0.77400000 Y=0.47700000 Z=0.87000000 -1: X=0.72600000 Y=0.52300000 Z=0.37000000 Sn NPT= 781 R0=.000010000 RMT= 1.87 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.04100000 Y=0.33700000 Z=0.00400000 MULT= 4 ISPLIT= 8 -2: X=0.45900000 Y=0.66300000 Z=0.50400000 -2: X=0.54100000 Y=0.16300000 Z=0.99600000 -2: X=0.95900000 Y=0.83700000 Z=0.49600000 F NPT= 781 R0=.000100000 RMT= 1.69 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.37800000 Y=0.20200000 Z=0.38500000 MULT= 4 ISPLIT= 8 -3: X=0.12200000 Y=0.79800000 Z=0.88500000 -3: X=0.87800000 Y=0.29800000 Z=0.61500000 -3: X=0.62200000 Y=0.70200000 Z=0.11500000 F NPT= 781 R0=.000100000 RMT= 1.69 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000