B   LATTICE,NONEQUIV.ATOMS   3  197 I23                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.048439 19.048439 19.048439 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.02000000 Y=0.32000000 Z=0.18000000
          MULT=12          ISPLIT= 8
      -1: X=0.98000000 Y=0.68000000 Z=0.18000000
      -1: X=0.02000000 Y=0.68000000 Z=0.82000000
      -1: X=0.18000000 Y=0.02000000 Z=0.32000000
      -1: X=0.98000000 Y=0.32000000 Z=0.82000000
      -1: X=0.82000000 Y=0.98000000 Z=0.32000000
      -1: X=0.18000000 Y=0.98000000 Z=0.68000000
      -1: X=0.82000000 Y=0.02000000 Z=0.68000000
      -1: X=0.32000000 Y=0.18000000 Z=0.02000000
      -1: X=0.68000000 Y=0.82000000 Z=0.02000000
      -1: X=0.32000000 Y=0.82000000 Z=0.98000000
      -1: X=0.68000000 Y=0.18000000 Z=0.98000000
Bi         NPT=  781  R0=.000005000 RMT= 2.27        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08000000 Y=0.21000000 Z=0.36000000
          MULT=12          ISPLIT= 8
      -2: X=0.92000000 Y=0.79000000 Z=0.36000000
      -2: X=0.08000000 Y=0.79000000 Z=0.64000000
      -2: X=0.36000000 Y=0.08000000 Z=0.21000000
      -2: X=0.92000000 Y=0.21000000 Z=0.64000000
      -2: X=0.64000000 Y=0.92000000 Z=0.21000000
      -2: X=0.36000000 Y=0.92000000 Z=0.79000000
      -2: X=0.64000000 Y=0.08000000 Z=0.79000000
      -2: X=0.21000000 Y=0.36000000 Z=0.08000000
      -2: X=0.79000000 Y=0.64000000 Z=0.08000000
      -2: X=0.21000000 Y=0.64000000 Z=0.92000000
      -2: X=0.79000000 Y=0.36000000 Z=0.92000000
O          NPT=  781  R0=.000100000 RMT= 1.86        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=0.19000000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -3: X=0.81000000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.19000000 Z=0.00000000
      -3: X=0.00000000 Y=0.81000000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.19000000
      -3: X=0.00000000 Y=0.00000000 Z=0.81000000
O          NPT=  781  R0=.000100000 RMT= 1.86        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000