P   LATTICE,NONEQUIV.ATOMS   3   81 P-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.421737 12.421737  6.027470 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
C          NPT=  781  R0=.000100000 RMT= 1.59        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.21755000 Y=0.03898000 Z=0.32091000
          MULT= 4          ISPLIT= 8
      -2: X=0.03898000 Y=0.78245000 Z=0.67909000
      -2: X=0.78245000 Y=0.96102000 Z=0.32091000
      -2: X=0.96102000 Y=0.21755000 Z=0.67909000
O          NPT=  781  R0=.000100000 RMT= 1.75        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  -3: X=0.22035000 Y=0.45965000 Z=0.23312000
          MULT= 4          ISPLIT= 8
      -3: X=0.45965000 Y=0.77965000 Z=0.76688000
      -3: X=0.77965000 Y=0.54035000 Z=0.23312000
      -3: X=0.54035000 Y=0.22035000 Z=0.76688000
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