P   LATTICE,NONEQUIV.ATOMS   9   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 24.169597 12.585576 21.146035 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18880000 Y=0.36100000 Z=0.36300000
          MULT= 4          ISPLIT= 8
      -1: X=0.81120000 Y=0.63900000 Z=0.86300000
      -1: X=0.31120000 Y=0.86100000 Z=0.86300000
      -1: X=0.68880000 Y=0.13900000 Z=0.36300000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.21700000 Y=0.29230000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.78300000 Y=0.70770000 Z=0.50000000
      -2: X=0.28300000 Y=0.79230000 Z=0.50000000
      -2: X=0.71700000 Y=0.20770000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.26890000 Y=0.32650000 Z=0.66120000
          MULT= 4          ISPLIT= 8
      -3: X=0.73110000 Y=0.67350000 Z=0.16120000
      -3: X=0.23110000 Y=0.82650000 Z=0.16120000
      -3: X=0.76890000 Y=0.17350000 Z=0.66120000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.43080000 Y=0.21600000 Z=0.21290000
          MULT= 4          ISPLIT= 8
      -4: X=0.56920000 Y=0.78400000 Z=0.71290000
      -4: X=0.06920000 Y=0.71600000 Z=0.71290000
      -4: X=0.93080000 Y=0.28400000 Z=0.21290000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.01220000 Y=0.17670000 Z=0.74630000
          MULT= 4          ISPLIT= 8
      -5: X=0.98780000 Y=0.82330000 Z=0.24630000
      -5: X=0.48780000 Y=0.67670000 Z=0.24630000
      -5: X=0.51220000 Y=0.32330000 Z=0.74630000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.05720000 Y=0.48830000 Z=0.46520000
          MULT= 4          ISPLIT= 8
      -6: X=0.94280000 Y=0.51170000 Z=0.96520000
      -6: X=0.44280000 Y=0.98830000 Z=0.96520000
      -6: X=0.55720000 Y=0.01170000 Z=0.46520000
P          NPT=  781  R0=.000100000 RMT= 1.79        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  -7: X=0.39050000 Y=0.30490000 Z=0.01940000
          MULT= 4          ISPLIT= 8
      -7: X=0.60950000 Y=0.69510000 Z=0.51940000
      -7: X=0.10950000 Y=0.80490000 Z=0.51940000
      -7: X=0.89050000 Y=0.19510000 Z=0.01940000
P          NPT=  781  R0=.000100000 RMT= 1.79        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  -8: X=0.09830000 Y=0.39850000 Z=0.65200000
          MULT= 4          ISPLIT= 8
      -8: X=0.90170000 Y=0.60150000 Z=0.15200000
      -8: X=0.40170000 Y=0.89850000 Z=0.15200000
      -8: X=0.59830000 Y=0.10150000 Z=0.65200000
P          NPT=  781  R0=.000100000 RMT= 1.79        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  -9: X=0.32160000 Y=0.45630000 Z=0.48380000
          MULT= 4          ISPLIT= 8
      -9: X=0.67840000 Y=0.54370000 Z=0.98380000
      -9: X=0.17840000 Y=0.95630000 Z=0.98380000
      -9: X=0.82160000 Y=0.04370000 Z=0.48380000
P          NPT=  781  R0=.000100000 RMT= 1.79        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000