P   LATTICE,NONEQUIV.ATOMS   6   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.079043  8.907791 21.948413 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.37750000 Y=0.00600000 Z=0.24490000
          MULT= 4          ISPLIT= 8
      -1: X=0.62250000 Y=0.99400000 Z=0.74490000
      -1: X=0.12250000 Y=0.50600000 Z=0.74490000
      -1: X=0.87750000 Y=0.49400000 Z=0.24490000
Sb         NPT=  781  R0=.000010000 RMT= 1.98        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.44750000 Y=0.44700000 Z=0.00180000
          MULT= 4          ISPLIT= 8
      -2: X=0.55250000 Y=0.55300000 Z=0.50180000
      -2: X=0.05250000 Y=0.94700000 Z=0.50180000
      -2: X=0.94750000 Y=0.05300000 Z=0.00180000
Sb         NPT=  781  R0=.000010000 RMT= 1.98        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.26600000 Y=0.14700000 Z=0.09000000
          MULT= 4          ISPLIT= 8
      -3: X=0.73400000 Y=0.85300000 Z=0.59000000
      -3: X=0.23400000 Y=0.64700000 Z=0.59000000
      -3: X=0.76600000 Y=0.35300000 Z=0.09000000
O          NPT=  781  R0=.000100000 RMT= 1.70        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  -4: X=0.09300000 Y=0.79100000 Z=0.18000000
          MULT= 4          ISPLIT= 8
      -4: X=0.90700000 Y=0.20900000 Z=0.68000000
      -4: X=0.40700000 Y=0.29100000 Z=0.68000000
      -4: X=0.59300000 Y=0.70900000 Z=0.18000000
O          NPT=  781  R0=.000100000 RMT= 1.70        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=0.17800000 Y=0.31800000 Z=0.31500000
          MULT= 4          ISPLIT= 8
      -5: X=0.82200000 Y=0.68200000 Z=0.81500000
      -5: X=0.32200000 Y=0.81800000 Z=0.81500000
      -5: X=0.67800000 Y=0.18200000 Z=0.31500000
O          NPT=  781  R0=.000100000 RMT= 1.70        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=0.14600000 Y=0.33300000 Z=0.90560000
          MULT= 4          ISPLIT= 8
      -6: X=0.85400000 Y=0.66700000 Z=0.40560000
      -6: X=0.35400000 Y=0.83300000 Z=0.40560000
      -6: X=0.64600000 Y=0.16700000 Z=0.90560000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000