P   LATTICE,NONEQUIV.ATOMS   7   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.631626 17.833912 10.238536 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00200000 Y=0.30980000 Z=0.74400000
          MULT= 4          ISPLIT= 8
      -1: X=0.99800000 Y=0.69020000 Z=0.24400000
      -1: X=0.49800000 Y=0.80980000 Z=0.24400000
      -1: X=0.50200000 Y=0.19020000 Z=0.74400000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.29000000 Y=0.42700000 Z=0.25100000
          MULT= 4          ISPLIT= 8
      -2: X=0.71000000 Y=0.57300000 Z=0.75100000
      -2: X=0.21000000 Y=0.92700000 Z=0.75100000
      -2: X=0.79000000 Y=0.07300000 Z=0.25100000
Si         NPT=  781  R0=.000100000 RMT= 1.41        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  -3: X=0.18700000 Y=0.08500000 Z=0.27000000
          MULT= 4          ISPLIT= 8
      -3: X=0.81300000 Y=0.91500000 Z=0.77000000
      -3: X=0.31300000 Y=0.58500000 Z=0.77000000
      -3: X=0.68700000 Y=0.41500000 Z=0.27000000
Al         NPT=  781  R0=.000100000 RMT= 1.61        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.48500000 Y=0.44800000 Z=0.22700000
          MULT= 4          ISPLIT= 8
      -4: X=0.51500000 Y=0.55200000 Z=0.72700000
      -4: X=0.01500000 Y=0.94800000 Z=0.72700000
      -4: X=0.98500000 Y=0.05200000 Z=0.22700000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.25400000 Y=0.25800000 Z=0.25400000
          MULT= 4          ISPLIT= 8
      -5: X=0.74600000 Y=0.74200000 Z=0.75400000
      -5: X=0.24600000 Y=0.75800000 Z=0.75400000
      -5: X=0.75400000 Y=0.24200000 Z=0.25400000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.26800000 Y=0.00700000 Z=0.00600000
          MULT= 4          ISPLIT= 8
      -6: X=0.73200000 Y=0.99300000 Z=0.50600000
      -6: X=0.23200000 Y=0.50700000 Z=0.50600000
      -6: X=0.76800000 Y=0.49300000 Z=0.00600000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.20800000 Y=0.50500000 Z=0.01000000
          MULT= 4          ISPLIT= 8
      -7: X=0.79200000 Y=0.49500000 Z=0.51000000
      -7: X=0.29200000 Y=0.00500000 Z=0.51000000
      -7: X=0.70800000 Y=0.99500000 Z=0.01000000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000