P   LATTICE,NONEQUIV.ATOMS   8   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.475183  9.975864 13.356584 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09600000 Y=0.20300000 Z=0.62300000
          MULT= 4          ISPLIT= 8
      -1: X=0.90400000 Y=0.79700000 Z=0.12300000
      -1: X=0.40400000 Y=0.70300000 Z=0.12300000
      -1: X=0.59600000 Y=0.29700000 Z=0.62300000
Si         NPT=  781  R0=.000100000 RMT= 1.42        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.15800000 Y=0.70400000 Z=0.37800000
          MULT= 4          ISPLIT= 8
      -2: X=0.84200000 Y=0.29600000 Z=0.87800000
      -2: X=0.34200000 Y=0.20400000 Z=0.87800000
      -2: X=0.65800000 Y=0.79600000 Z=0.37800000
Mg         NPT=  781  R0=.000100000 RMT= 1.75        Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.08600000 Y=0.24000000 Z=0.15300000
          MULT= 4          ISPLIT= 8
      -3: X=0.91400000 Y=0.76000000 Z=0.65300000
      -3: X=0.41400000 Y=0.74000000 Z=0.65300000
      -3: X=0.58600000 Y=0.26000000 Z=0.15300000
Na         NPT=  781  R0=.000100000 RMT= 2.01        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  -4: X=0.35200000 Y=0.20400000 Z=0.39700000
          MULT= 4          ISPLIT= 8
      -4: X=0.64800000 Y=0.79600000 Z=0.89700000
      -4: X=0.14800000 Y=0.70400000 Z=0.89700000
      -4: X=0.85200000 Y=0.29600000 Z=0.39700000
Na         NPT=  781  R0=.000100000 RMT= 2.01        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  -5: X=0.18100000 Y=0.28100000 Z=0.80500000
          MULT= 4          ISPLIT= 8
      -5: X=0.81900000 Y=0.71900000 Z=0.30500000
      -5: X=0.31900000 Y=0.78100000 Z=0.30500000
      -5: X=0.68100000 Y=0.21900000 Z=0.80500000
O          NPT=  781  R0=.000100000 RMT= 1.65        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=0.15200000 Y=0.33000000 Z=0.43100000
          MULT= 4          ISPLIT= 8
      -6: X=0.84800000 Y=0.67000000 Z=0.93100000
      -6: X=0.34800000 Y=0.83000000 Z=0.93100000
      -6: X=0.65200000 Y=0.17000000 Z=0.43100000
O          NPT=  781  R0=.000100000 RMT= 1.65        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  -7: X=0.05200000 Y=0.75600000 Z=0.16000000
          MULT= 4          ISPLIT= 8
      -7: X=0.94800000 Y=0.24400000 Z=0.66000000
      -7: X=0.44800000 Y=0.25600000 Z=0.66000000
      -7: X=0.55200000 Y=0.74400000 Z=0.16000000
O          NPT=  781  R0=.000100000 RMT= 1.65        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  -8: X=0.39000000 Y=0.39500000 Z=0.10900000
          MULT= 4          ISPLIT= 8
      -8: X=0.61000000 Y=0.60500000 Z=0.60900000
      -8: X=0.11000000 Y=0.89500000 Z=0.60900000
      -8: X=0.89000000 Y=0.10500000 Z=0.10900000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000