P   LATTICE,NONEQUIV.ATOMS   7   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.042101  9.690516 12.081019 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.21970000 Y=0.00030000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.78030000 Y=0.99970000 Z=0.50000000
      -1: X=0.28030000 Y=0.50030000 Z=0.50000000
      -1: X=0.71970000 Y=0.49970000 Z=0.00000000
Y          NPT=  781  R0=.000010000 RMT= 2.17        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00200000 Y=0.49900000 Z=0.25300000
          MULT= 4          ISPLIT= 8
      -2: X=0.99800000 Y=0.50100000 Z=0.75300000
      -2: X=0.49800000 Y=0.99900000 Z=0.75300000
      -2: X=0.50200000 Y=0.00100000 Z=0.25300000
Na         NPT=  781  R0=.000100000 RMT= 2.19        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=0.09960000 Y=0.06270000 Z=0.50600000
          MULT= 4          ISPLIT= 8
      -3: X=0.90040000 Y=0.93730000 Z=0.00600000
      -3: X=0.40040000 Y=0.56270000 Z=0.00600000
      -3: X=0.59960000 Y=0.43730000 Z=0.50600000
Si         NPT=  781  R0=.000100000 RMT= 1.40        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  -4: X=0.16600000 Y=0.20600000 Z=0.71000000
          MULT= 4          ISPLIT= 8
      -4: X=0.83400000 Y=0.79400000 Z=0.21000000
      -4: X=0.33400000 Y=0.70600000 Z=0.21000000
      -4: X=0.66600000 Y=0.29400000 Z=0.71000000
O          NPT=  781  R0=.000100000 RMT= 1.63        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=0.20100000 Z=0.31300000
          MULT= 4          ISPLIT= 8
      -5: X=0.82400000 Y=0.79900000 Z=0.81300000
      -5: X=0.32400000 Y=0.70100000 Z=0.81300000
      -5: X=0.67600000 Y=0.29900000 Z=0.31300000
O          NPT=  781  R0=.000100000 RMT= 1.63        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=0.46200000 Y=0.33000000 Z=0.49500000
          MULT= 4          ISPLIT= 8
      -6: X=0.53800000 Y=0.67000000 Z=0.99500000
      -6: X=0.03800000 Y=0.83000000 Z=0.99500000
      -6: X=0.96200000 Y=0.17000000 Z=0.49500000
O          NPT=  781  R0=.000100000 RMT= 1.63        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=0.38700000 Y=0.24900000 Z=0.01700000
          MULT= 4          ISPLIT= 8
      -7: X=0.61300000 Y=0.75100000 Z=0.51700000
      -7: X=0.11300000 Y=0.74900000 Z=0.51700000
      -7: X=0.88700000 Y=0.25100000 Z=0.01700000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000