P   LATTICE,NONEQUIV.ATOMS   3   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.100467 19.142926  7.747877 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11930000 Y=0.12350000 Z=0.20200000
          MULT= 4          ISPLIT= 8
      -1: X=0.88070000 Y=0.87650000 Z=0.70200000
      -1: X=0.38070000 Y=0.62350000 Z=0.70200000
      -1: X=0.61930000 Y=0.37650000 Z=0.20200000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.34320000 Y=0.45070000 Z=0.23870000
          MULT= 4          ISPLIT= 8
      -2: X=0.65680000 Y=0.54930000 Z=0.73870000
      -2: X=0.15680000 Y=0.95070000 Z=0.73870000
      -2: X=0.84320000 Y=0.04930000 Z=0.23870000
S          NPT=  781  R0=.000100000 RMT= 2.09        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00780000 Y=0.67180000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.99220000 Y=0.32820000 Z=0.75000000
      -3: X=0.49220000 Y=0.17180000 Z=0.75000000
      -3: X=0.50780000 Y=0.82820000 Z=0.25000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000