P   LATTICE,NONEQUIV.ATOMS   7   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.359024 23.889918 13.683507 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12930000 Y=0.09390000 Z=0.24800000
          MULT= 4          ISPLIT= 8
      -1: X=0.87070000 Y=0.90610000 Z=0.74800000
      -1: X=0.37070000 Y=0.59390000 Z=0.74800000
      -1: X=0.62930000 Y=0.40610000 Z=0.24800000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.01290000 Y=0.31920000 Z=0.74860000
          MULT= 4          ISPLIT= 8
      -2: X=0.98710000 Y=0.68080000 Z=0.24860000
      -2: X=0.48710000 Y=0.81920000 Z=0.24860000
      -2: X=0.51290000 Y=0.18080000 Z=0.74860000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.22320000 Y=0.42170000 Z=0.24920000
          MULT= 4          ISPLIT= 8
      -3: X=0.77680000 Y=0.57830000 Z=0.74920000
      -3: X=0.27680000 Y=0.92170000 Z=0.74920000
      -3: X=0.72320000 Y=0.07830000 Z=0.24920000
Zn         NPT=  781  R0=.000050000 RMT= 2.24        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.48110000 Y=0.08000000 Z=0.25150000
          MULT= 4          ISPLIT= 8
      -4: X=0.51890000 Y=0.92000000 Z=0.75150000
      -4: X=0.01890000 Y=0.58000000 Z=0.75150000
      -4: X=0.98110000 Y=0.42000000 Z=0.25150000
Cl         NPT=  781  R0=.000100000 RMT= 1.93        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.32240000 Y=0.58400000 Z=0.24310000
          MULT= 4          ISPLIT= 8
      -5: X=0.67760000 Y=0.41600000 Z=0.74310000
      -5: X=0.17760000 Y=0.08400000 Z=0.74310000
      -5: X=0.82240000 Y=0.91600000 Z=0.24310000
Cl         NPT=  781  R0=.000100000 RMT= 1.93        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.30780000 Y=0.33590000 Z=0.00390000
          MULT= 4          ISPLIT= 8
      -6: X=0.69220000 Y=0.66410000 Z=0.50390000
      -6: X=0.19220000 Y=0.83590000 Z=0.50390000
      -6: X=0.80780000 Y=0.16410000 Z=0.00390000
Cl         NPT=  781  R0=.000100000 RMT= 1.93        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.31590000 Y=0.34210000 Z=0.50110000
          MULT= 4          ISPLIT= 8
      -7: X=0.68410000 Y=0.65790000 Z=0.00110000
      -7: X=0.18410000 Y=0.84210000 Z=0.00110000
      -7: X=0.81590000 Y=0.15790000 Z=0.50110000
Cl         NPT=  781  R0=.000100000 RMT= 1.93        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000