B   LATTICE,NONEQUIV.ATOMS   7   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.237369 18.237369 15.183005 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Ba         NPT=  781  R0=.000010000 RMT= 2.47        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 1          ISPLIT=-2
Ba         NPT=  781  R0=.000010000 RMT= 2.47        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.34380000 Y=0.27500000 Z=0.13230000
          MULT= 4          ISPLIT= 8
      -3: X=0.27500000 Y=0.65620000 Z=0.86770000
      -3: X=0.65620000 Y=0.72500000 Z=0.13230000
      -3: X=0.72500000 Y=0.34380000 Z=0.86770000
Br         NPT=  781  R0=.000050000 RMT= 1.73        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.41190000 Y=0.12250000 Z=0.03240000
          MULT= 4          ISPLIT= 8
      -4: X=0.12250000 Y=0.58810000 Z=0.96760000
      -4: X=0.58810000 Y=0.87750000 Z=0.03240000
      -4: X=0.87750000 Y=0.41190000 Z=0.96760000
F          NPT=  781  R0=.000100000 RMT= 1.65        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.17860000 Y=0.01380000 Z=0.27510000
          MULT= 4          ISPLIT= 8
      -5: X=0.01380000 Y=0.82140000 Z=0.72490000
      -5: X=0.82140000 Y=0.98620000 Z=0.27510000
      -5: X=0.98620000 Y=0.17860000 Z=0.72490000
F          NPT=  781  R0=.000100000 RMT= 1.65        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.27800000 Y=0.43830000 Z=0.23850000
          MULT= 4          ISPLIT= 8
      -6: X=0.43830000 Y=0.72200000 Z=0.76150000
      -6: X=0.72200000 Y=0.56170000 Z=0.23850000
      -6: X=0.56170000 Y=0.27800000 Z=0.76150000
F          NPT=  781  R0=.000100000 RMT= 1.65        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.16059000 Y=0.24124000 Z=0.04321000
          MULT= 4          ISPLIT= 8
      -7: X=0.24124000 Y=0.83941000 Z=0.95679000
      -7: X=0.83941000 Y=0.75876000 Z=0.04321000
      -7: X=0.75876000 Y=0.16059000 Z=0.95679000
F          NPT=  781  R0=.000100000 RMT= 1.65        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000