P   LATTICE,NONEQUIV.ATOMS   5  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.355915 15.355915 15.355915 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75000000 Y=0.75000000 Z=0.75000000
          MULT= 4          ISPLIT= 4
      -1: X=0.75000000 Y=0.25000000 Z=0.25000000
      -1: X=0.25000000 Y=0.75000000 Z=0.25000000
      -1: X=0.25000000 Y=0.25000000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.39640000 Y=0.39640000 Z=0.39640000
          MULT= 4          ISPLIT= 4
      -2: X=0.10360000 Y=0.60360000 Z=0.89640000
      -2: X=0.89640000 Y=0.10360000 Z=0.60360000
      -2: X=0.60360000 Y=0.89640000 Z=0.10360000
N          NPT=  781  R0=.000100000 RMT= 1.12        Z:   7.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.09790000 Y=0.09790000 Z=0.09790000
          MULT= 4          ISPLIT= 4
      -3: X=0.40210000 Y=0.90210000 Z=0.59790000
      -3: X=0.59790000 Y=0.40210000 Z=0.90210000
      -3: X=0.90210000 Y=0.59790000 Z=0.40210000
N          NPT=  781  R0=.000100000 RMT= 1.12        Z:   7.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.26530000 Y=0.44650000 Z=0.45210000
          MULT=12          ISPLIT= 8
      -4: X=0.23470000 Y=0.55350000 Z=0.95210000
      -4: X=0.76530000 Y=0.05350000 Z=0.54790000
      -4: X=0.45210000 Y=0.26530000 Z=0.44650000
      -4: X=0.73470000 Y=0.94650000 Z=0.04790000
      -4: X=0.04790000 Y=0.73470000 Z=0.94650000
      -4: X=0.95210000 Y=0.23470000 Z=0.55350000
      -4: X=0.54790000 Y=0.76530000 Z=0.05350000
      -4: X=0.44650000 Y=0.45210000 Z=0.26530000
      -4: X=0.05350000 Y=0.54790000 Z=0.76530000
      -4: X=0.94650000 Y=0.04790000 Z=0.73470000
      -4: X=0.55350000 Y=0.95210000 Z=0.23470000
O          NPT=  781  R0=.000100000 RMT= 1.18        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=0.02300000 Y=0.21860000 Z=0.03040000
          MULT=12          ISPLIT= 8
      -5: X=0.47700000 Y=0.78140000 Z=0.53040000
      -5: X=0.52300000 Y=0.28140000 Z=0.96960000
      -5: X=0.03040000 Y=0.02300000 Z=0.21860000
      -5: X=0.97700000 Y=0.71860000 Z=0.46960000
      -5: X=0.46960000 Y=0.97700000 Z=0.71860000
      -5: X=0.53040000 Y=0.47700000 Z=0.78140000
      -5: X=0.96960000 Y=0.52300000 Z=0.28140000
      -5: X=0.21860000 Y=0.03040000 Z=0.02300000
      -5: X=0.28140000 Y=0.96960000 Z=0.52300000
      -5: X=0.71860000 Y=0.46960000 Z=0.97700000
      -5: X=0.78140000 Y=0.53040000 Z=0.47700000
O          NPT=  781  R0=.000100000 RMT= 1.18        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000