B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.539768 19.539768 19.539768 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 4
      -2: X=0.75000000 Y=0.25000000 Z=0.25000000
      -2: X=0.25000000 Y=0.75000000 Z=0.25000000
      -2: X=0.75000000 Y=0.75000000 Z=0.25000000
Bi         NPT=  781  R0=.000005000 RMT= 1.81        Z:  83.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.11800000 Y=0.15900000 Z=0.31600000
          MULT=24          ISPLIT= 8
      -3: X=0.88200000 Y=0.84100000 Z=0.68400000
      -3: X=0.88200000 Y=0.34100000 Z=0.31600000
      -3: X=0.11800000 Y=0.65900000 Z=0.68400000
      -3: X=0.11800000 Y=0.84100000 Z=0.18400000
      -3: X=0.88200000 Y=0.15900000 Z=0.81600000
      -3: X=0.31600000 Y=0.11800000 Z=0.15900000
      -3: X=0.68400000 Y=0.88200000 Z=0.84100000
      -3: X=0.88200000 Y=0.65900000 Z=0.18400000
      -3: X=0.11800000 Y=0.34100000 Z=0.81600000
      -3: X=0.68400000 Y=0.38200000 Z=0.15900000
      -3: X=0.31600000 Y=0.61800000 Z=0.84100000
      -3: X=0.31600000 Y=0.88200000 Z=0.34100000
      -3: X=0.68400000 Y=0.11800000 Z=0.65900000
      -3: X=0.68400000 Y=0.61800000 Z=0.34100000
      -3: X=0.31600000 Y=0.38200000 Z=0.65900000
      -3: X=0.15900000 Y=0.31600000 Z=0.11800000
      -3: X=0.84100000 Y=0.68400000 Z=0.88200000
      -3: X=0.84100000 Y=0.18400000 Z=0.11800000
      -3: X=0.15900000 Y=0.81600000 Z=0.88200000
      -3: X=0.15900000 Y=0.68400000 Z=0.38200000
      -3: X=0.84100000 Y=0.31600000 Z=0.61800000
      -3: X=0.84100000 Y=0.81600000 Z=0.38200000
      -3: X=0.15900000 Y=0.18400000 Z=0.61800000
F          NPT=  781  R0=.000100000 RMT= 1.56        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000