P   LATTICE,NONEQUIV.ATOMS   7   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.469513  9.552566 12.271882 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.71410000 Y=0.51480000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.28590000 Y=0.48520000 Z=0.75000000
      -1: X=0.78590000 Y=0.01480000 Z=0.75000000
      -1: X=0.21410000 Y=0.98520000 Z=0.25000000
Cd         NPT=  781  R0=.000010000 RMT= 2.25        Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00550000 Y=0.50050000 Z=0.01450000
          MULT= 4          ISPLIT= 8
      -2: X=0.99450000 Y=0.49950000 Z=0.51450000
      -2: X=0.49450000 Y=0.00050000 Z=0.51450000
      -2: X=0.50550000 Y=0.99950000 Z=0.01450000
Na         NPT=  781  R0=.000100000 RMT= 2.18        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=0.39600000 Y=0.43300000 Z=0.25100000
          MULT= 4          ISPLIT= 8
      -3: X=0.60400000 Y=0.56700000 Z=0.75100000
      -3: X=0.10400000 Y=0.93300000 Z=0.75100000
      -3: X=0.89600000 Y=0.06700000 Z=0.25100000
P          NPT=  781  R0=.000100000 RMT= 1.37        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.10700000 Y=0.23700000 Z=0.74000000
          MULT= 4          ISPLIT= 8
      -4: X=0.89300000 Y=0.76300000 Z=0.24000000
      -4: X=0.39300000 Y=0.73700000 Z=0.24000000
      -4: X=0.60700000 Y=0.26300000 Z=0.74000000
O          NPT=  781  R0=.000100000 RMT= 1.51        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=0.32500000 Y=0.32500000 Z=0.43700000
          MULT= 4          ISPLIT= 8
      -5: X=0.67500000 Y=0.67500000 Z=0.93700000
      -5: X=0.17500000 Y=0.82500000 Z=0.93700000
      -5: X=0.82500000 Y=0.17500000 Z=0.43700000
O          NPT=  781  R0=.000100000 RMT= 1.51        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=0.33300000 Y=0.29000000 Z=0.06100000
          MULT= 4          ISPLIT= 8
      -6: X=0.66700000 Y=0.71000000 Z=0.56100000
      -6: X=0.16700000 Y=0.79000000 Z=0.56100000
      -6: X=0.83300000 Y=0.21000000 Z=0.06100000
O          NPT=  781  R0=.000100000 RMT= 1.51        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=0.02800000 Y=0.17400000 Z=0.26300000
          MULT= 4          ISPLIT= 8
      -7: X=0.97200000 Y=0.82600000 Z=0.76300000
      -7: X=0.47200000 Y=0.67400000 Z=0.76300000
      -7: X=0.52800000 Y=0.32600000 Z=0.26300000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000