B   LATTICE,NONEQUIV.ATOMS   3  220 I-43d                                      
MODE OF CALC=RELA unit=bohr                                                    
 24.831001 24.831001 24.831001 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.37500000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT=-2
      -1: X=0.25000000 Y=0.37500000 Z=0.00000000
      -1: X=0.62500000 Y=0.50000000 Z=0.25000000
      -1: X=0.25000000 Y=0.62500000 Z=0.50000000
      -1: X=0.00000000 Y=0.25000000 Z=0.37500000
      -1: X=0.00000000 Y=0.75000000 Z=0.12500000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.03300000 Y=0.37300000 Z=0.15480000
          MULT=24          ISPLIT= 8
      -2: X=0.62300000 Y=0.71700000 Z=0.09520000
      -2: X=0.03300000 Y=0.62700000 Z=0.34520000
      -2: X=0.15480000 Y=0.03300000 Z=0.37300000
      -2: X=0.96700000 Y=0.12700000 Z=0.15480000
      -2: X=0.87700000 Y=0.71700000 Z=0.90480000
      -2: X=0.28300000 Y=0.59520000 Z=0.87700000
      -2: X=0.87700000 Y=0.28300000 Z=0.59520000
      -2: X=0.96700000 Y=0.87300000 Z=0.34520000
      -2: X=0.84520000 Y=0.46700000 Z=0.37300000
      -2: X=0.62300000 Y=0.28300000 Z=0.40480000
      -2: X=0.21700000 Y=0.40480000 Z=0.37700000
      -2: X=0.15480000 Y=0.96700000 Z=0.12700000
      -2: X=0.21700000 Y=0.59520000 Z=0.12300000
      -2: X=0.84520000 Y=0.53300000 Z=0.12700000
      -2: X=0.28300000 Y=0.40480000 Z=0.62300000
      -2: X=0.09520000 Y=0.62300000 Z=0.71700000
      -2: X=0.37300000 Y=0.15480000 Z=0.03300000
      -2: X=0.40480000 Y=0.37700000 Z=0.21700000
      -2: X=0.62700000 Y=0.34520000 Z=0.03300000
      -2: X=0.09520000 Y=0.37700000 Z=0.78300000
      -2: X=0.62700000 Y=0.65480000 Z=0.46700000
      -2: X=0.40480000 Y=0.62300000 Z=0.28300000
      -2: X=0.37300000 Y=0.84520000 Z=0.46700000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.20830000 Y=0.20830000 Z=0.20830000
          MULT= 8          ISPLIT= 4
      -3: X=0.45830000 Y=0.54170000 Z=0.04170000
      -3: X=0.20830000 Y=0.79170000 Z=0.29170000
      -3: X=0.79170000 Y=0.29170000 Z=0.20830000
      -3: X=0.04170000 Y=0.54170000 Z=0.95830000
      -3: X=0.04170000 Y=0.45830000 Z=0.54170000
      -3: X=0.79170000 Y=0.70830000 Z=0.29170000
      -3: X=0.45830000 Y=0.45830000 Z=0.45830000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503