P   LATTICE,NONEQUIV.ATOMS   6   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.029662 20.172826  9.076355 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.37050000 Y=0.45130000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.62950000 Y=0.54870000 Z=0.50000000
      -1: X=0.12950000 Y=0.95130000 Z=0.50000000
      -1: X=0.87050000 Y=0.04870000 Z=0.00000000
Ge         NPT=  781  R0=.000050000 RMT= 1.66        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.11450000 Y=0.26640000 Z=0.52270000
          MULT= 4          ISPLIT= 8
      -2: X=0.88550000 Y=0.73360000 Z=0.02270000
      -2: X=0.38550000 Y=0.76640000 Z=0.02270000
      -2: X=0.61450000 Y=0.23360000 Z=0.52270000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.37870000 Y=0.08600000 Z=0.03700000
          MULT= 4          ISPLIT= 8
      -3: X=0.62130000 Y=0.91400000 Z=0.53700000
      -3: X=0.12130000 Y=0.58600000 Z=0.53700000
      -3: X=0.87870000 Y=0.41400000 Z=0.03700000
Na         NPT=  781  R0=.000100000 RMT= 2.12        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=0.58050000 Y=0.52990000 Z=0.13100000
          MULT= 4          ISPLIT= 8
      -4: X=0.41950000 Y=0.47010000 Z=0.63100000
      -4: X=0.91950000 Y=0.02990000 Z=0.63100000
      -4: X=0.08050000 Y=0.97010000 Z=0.13100000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.36310000 Y=0.29640000 Z=0.06600000
          MULT= 4          ISPLIT= 8
      -5: X=0.63690000 Y=0.70360000 Z=0.56600000
      -5: X=0.13690000 Y=0.79640000 Z=0.56600000
      -5: X=0.86310000 Y=0.20360000 Z=0.06600000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.16480000 Y=0.53960000 Z=0.05800000
          MULT= 4          ISPLIT= 8
      -6: X=0.83520000 Y=0.46040000 Z=0.55800000
      -6: X=0.33520000 Y=0.03960000 Z=0.55800000
      -6: X=0.66480000 Y=0.96040000 Z=0.05800000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000