B   LATTICE,NONEQUIV.ATOMS   7   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.496639 18.496639 14.361919 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= 2.39        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= 2.39        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=0.33940000 Y=0.27920000 Z=0.12520000
          MULT= 4          ISPLIT= 8
      -3: X=0.27920000 Y=0.66060000 Z=0.87480000
      -3: X=0.66060000 Y=0.72080000 Z=0.12520000
      -3: X=0.72080000 Y=0.33940000 Z=0.87480000
Au         NPT=  781  R0=.000005000 RMT= 1.92        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.39680000 Y=0.10780000 Z=0.03480000
          MULT= 4          ISPLIT= 8
      -4: X=0.10780000 Y=0.60320000 Z=0.96520000
      -4: X=0.60320000 Y=0.89220000 Z=0.03480000
      -4: X=0.89220000 Y=0.39680000 Z=0.96520000
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=0.17680000 Y=0.01840000 Z=0.28450000
          MULT= 4          ISPLIT= 8
      -5: X=0.01840000 Y=0.82320000 Z=0.71550000
      -5: X=0.82320000 Y=0.98160000 Z=0.28450000
      -5: X=0.98160000 Y=0.17680000 Z=0.71550000
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=0.27920000 Y=0.45240000 Z=0.22120000
          MULT= 4          ISPLIT= 8
      -6: X=0.45240000 Y=0.72080000 Z=0.77880000
      -6: X=0.72080000 Y=0.54760000 Z=0.22120000
      -6: X=0.54760000 Y=0.27920000 Z=0.77880000
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=0.15520000 Y=0.24330000 Z=0.03950000
          MULT= 4          ISPLIT= 8
      -7: X=0.24330000 Y=0.84480000 Z=0.96050000
      -7: X=0.84480000 Y=0.75670000 Z=0.03950000
      -7: X=0.75670000 Y=0.15520000 Z=0.96050000
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