B   LATTICE,NONEQUIV.ATOMS   3  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.222904 20.222904 20.222904 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14725000 Y=0.14725000 Z=0.14725000
          MULT= 4          ISPLIT= 4
      -1: X=0.14725000 Y=0.85275000 Z=0.85275000
      -1: X=0.85275000 Y=0.85275000 Z=0.14725000
      -1: X=0.85275000 Y=0.14725000 Z=0.85275000
Bi         NPT=  781  R0=.000005000 RMT= 2.13        Z:  83.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -2: X=0.37839000 Y=0.37839000 Z=0.10840000
          MULT=12          ISPLIT= 8
      -2: X=0.37839000 Y=0.62161000 Z=0.89160000
      -2: X=0.10840000 Y=0.37839000 Z=0.37839000
      -2: X=0.62161000 Y=0.62161000 Z=0.10840000
      -2: X=0.37839000 Y=0.89160000 Z=0.62161000
      -2: X=0.62161000 Y=0.37839000 Z=0.89160000
      -2: X=0.89160000 Y=0.62161000 Z=0.37839000
      -2: X=0.62161000 Y=0.10840000 Z=0.62161000
      -2: X=0.10840000 Y=0.62161000 Z=0.62161000
      -2: X=0.62161000 Y=0.89160000 Z=0.37839000
      -2: X=0.89160000 Y=0.37839000 Z=0.62161000
      -2: X=0.37839000 Y=0.10840000 Z=0.37839000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.13180000 Y=0.13180000 Z=0.33880000
          MULT=12          ISPLIT= 8
      -3: X=0.13180000 Y=0.86820000 Z=0.66120000
      -3: X=0.33880000 Y=0.13180000 Z=0.13180000
      -3: X=0.86820000 Y=0.86820000 Z=0.33880000
      -3: X=0.13180000 Y=0.66120000 Z=0.86820000
      -3: X=0.86820000 Y=0.13180000 Z=0.66120000
      -3: X=0.66120000 Y=0.86820000 Z=0.13180000
      -3: X=0.86820000 Y=0.33880000 Z=0.86820000
      -3: X=0.33880000 Y=0.86820000 Z=0.86820000
      -3: X=0.86820000 Y=0.66120000 Z=0.13180000
      -3: X=0.66120000 Y=0.13180000 Z=0.86820000
      -3: X=0.13180000 Y=0.33880000 Z=0.13180000
O          NPT=  781  R0=.000100000 RMT= 1.74        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000