P LATTICE,NONEQUIV.ATOMS 6 14 P21/n MODE OF CALC=RELA unit=bohr 14.460940 10.009501 17.550642 90.000000 90.000000115.667000 ATOM -1: X=0.15390000 Y=0.35940000 Z=0.37850000 MULT= 4 ISPLIT= 8 -1: X=0.84610000 Y=0.64060000 Z=0.62150000 -1: X=0.34610000 Y=0.14060000 Z=0.87850000 -1: X=0.65390000 Y=0.85940000 Z=0.12150000 Sn NPT= 781 R0=.000010000 RMT= 2.07 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=0.40830000 Y=0.13260000 Z=0.61250000 MULT= 4 ISPLIT= 8 -2: X=0.59170000 Y=0.86740000 Z=0.38750000 -2: X=0.09170000 Y=0.36740000 Z=0.11250000 -2: X=0.90830000 Y=0.63260000 Z=0.88750000 P NPT= 781 R0=.000100000 RMT= 1.22 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.50000000 Y=0.50000000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.35 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.23700000 Y=0.08700000 Z=0.53110000 MULT= 4 ISPLIT= 8 -4: X=0.76300000 Y=0.91300000 Z=0.46890000 -4: X=0.26300000 Y=0.41300000 Z=0.03110000 -4: X=0.73700000 Y=0.58700000 Z=0.96890000 O NPT= 781 R0=.000100000 RMT= 1.35 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.17600000 Y=0.14100000 Z=0.18340000 MULT= 4 ISPLIT= 8 -5: X=0.82400000 Y=0.85900000 Z=0.81660000 -5: X=0.32400000 Y=0.35900000 Z=0.68340000 -5: X=0.67600000 Y=0.64100000 Z=0.31660000 O NPT= 781 R0=.000100000 RMT= 1.35 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.43600000 Y=0.63500000 Z=0.33790000 MULT= 4 ISPLIT= 8 -6: X=0.56400000 Y=0.36500000 Z=0.66210000 -6: X=0.06400000 Y=0.86500000 Z=0.83790000 -6: X=0.93600000 Y=0.13500000 Z=0.16210000 O NPT= 781 R0=.000100000 RMT= 1.35 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000