B   LATTICE,NONEQUIV.ATOMS   3  121 I-42m                                      
MODE OF CALC=RELA unit=bohr                                                    
  7.653013  7.653013 14.943198 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
C          NPT=  781  R0=.000100000 RMT= 1.26        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20417000 Y=0.20417000 Z=0.09950000
          MULT= 4          ISPLIT= 8
      -2: X=0.20417000 Y=0.79583000 Z=0.90050000
      -2: X=0.79583000 Y=0.79583000 Z=0.09950000
      -2: X=0.79583000 Y=0.20417000 Z=0.90050000
O          NPT=  781  R0=.000100000 RMT= 1.39        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  -3: X=0.19676000 Y=0.19676000 Z=0.35750000
          MULT= 4          ISPLIT= 8
      -3: X=0.19676000 Y=0.80324000 Z=0.64250000
      -3: X=0.80324000 Y=0.80324000 Z=0.35750000
      -3: X=0.80324000 Y=0.19676000 Z=0.64250000
Li         NPT=  781  R0=.000100000 RMT= 1.69        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000