B   LATTICE,NONEQUIV.ATOMS   4  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.896376 15.896376 15.896376 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.35972000 Y=0.35972000 Z=0.35972000
          MULT= 4          ISPLIT= 4
      -1: X=0.35972000 Y=0.64028000 Z=0.64028000
      -1: X=0.64028000 Y=0.64028000 Z=0.35972000
      -1: X=0.64028000 Y=0.35972000 Z=0.64028000
Nb         NPT=  781  R0=.000010000 RMT= 1.83        Z:  41.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -2: X=0.10900000 Y=0.10900000 Z=0.10900000
          MULT= 4          ISPLIT= 4
      -2: X=0.10900000 Y=0.89100000 Z=0.89100000
      -2: X=0.89100000 Y=0.89100000 Z=0.10900000
      -2: X=0.89100000 Y=0.10900000 Z=0.89100000
O          NPT=  781  R0=.000100000 RMT= 1.66        Z:   8.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.37530000 Y=0.37530000 Z=0.13990000
          MULT=12          ISPLIT= 8
      -3: X=0.37530000 Y=0.62470000 Z=0.86010000
      -3: X=0.13990000 Y=0.37530000 Z=0.37530000
      -3: X=0.62470000 Y=0.62470000 Z=0.13990000
      -3: X=0.37530000 Y=0.86010000 Z=0.62470000
      -3: X=0.62470000 Y=0.37530000 Z=0.86010000
      -3: X=0.86010000 Y=0.62470000 Z=0.37530000
      -3: X=0.62470000 Y=0.13990000 Z=0.62470000
      -3: X=0.13990000 Y=0.62470000 Z=0.62470000
      -3: X=0.62470000 Y=0.86010000 Z=0.37530000
      -3: X=0.86010000 Y=0.37530000 Z=0.62470000
      -3: X=0.37530000 Y=0.13990000 Z=0.37530000
O          NPT=  781  R0=.000100000 RMT= 1.66        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.12180000 Y=0.12180000 Z=0.39540000
          MULT=12          ISPLIT= 8
      -4: X=0.12180000 Y=0.87820000 Z=0.60460000
      -4: X=0.39540000 Y=0.12180000 Z=0.12180000
      -4: X=0.87820000 Y=0.87820000 Z=0.39540000
      -4: X=0.12180000 Y=0.60460000 Z=0.87820000
      -4: X=0.87820000 Y=0.12180000 Z=0.60460000
      -4: X=0.60460000 Y=0.87820000 Z=0.12180000
      -4: X=0.87820000 Y=0.39540000 Z=0.87820000
      -4: X=0.39540000 Y=0.87820000 Z=0.87820000
      -4: X=0.87820000 Y=0.60460000 Z=0.12180000
      -4: X=0.60460000 Y=0.12180000 Z=0.87820000
      -4: X=0.12180000 Y=0.39540000 Z=0.12180000
Li         NPT=  781  R0=.000100000 RMT= 1.74        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000