P   LATTICE,NONEQUIV.ATOMS   3  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.674771 12.674771 12.674771 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07750000 Y=0.07750000 Z=0.07750000
          MULT= 4          ISPLIT= 4
      -1: X=0.42250000 Y=0.92250000 Z=0.57750000
      -1: X=0.57750000 Y=0.42250000 Z=0.92250000
      -1: X=0.92250000 Y=0.57750000 Z=0.42250000
Na         NPT=  781  R0=.000100000 RMT= 2.26        Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.40670000 Y=0.40670000 Z=0.40670000
          MULT= 4          ISPLIT= 4
      -2: X=0.09330000 Y=0.59330000 Z=0.90670000
      -2: X=0.90670000 Y=0.09330000 Z=0.59330000
      -2: X=0.59330000 Y=0.90670000 Z=0.09330000
Br         NPT=  781  R0=.000050000 RMT= 1.63        Z:  35.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.00850000 Y=0.21180000 Z=0.40360000
          MULT=12          ISPLIT= 8
      -3: X=0.49150000 Y=0.78820000 Z=0.90360000
      -3: X=0.50850000 Y=0.28820000 Z=0.59640000
      -3: X=0.40360000 Y=0.00850000 Z=0.21180000
      -3: X=0.99150000 Y=0.71180000 Z=0.09640000
      -3: X=0.09640000 Y=0.99150000 Z=0.71180000
      -3: X=0.90360000 Y=0.49150000 Z=0.78820000
      -3: X=0.59640000 Y=0.50850000 Z=0.28820000
      -3: X=0.21180000 Y=0.40360000 Z=0.00850000
      -3: X=0.28820000 Y=0.59640000 Z=0.50850000
      -3: X=0.71180000 Y=0.09640000 Z=0.99150000
      -3: X=0.78820000 Y=0.90360000 Z=0.49150000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000