B   LATTICE,NONEQUIV.ATOMS   4  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.982299 18.982299 18.982299 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12220000 Y=0.12220000 Z=0.12220000
          MULT= 8          ISPLIT= 4
      -1: X=0.87780000 Y=0.87780000 Z=0.87780000
      -1: X=0.87780000 Y=0.37780000 Z=0.12220000
      -1: X=0.12220000 Y=0.62220000 Z=0.87780000
      -1: X=0.12220000 Y=0.87780000 Z=0.37780000
      -1: X=0.87780000 Y=0.12220000 Z=0.62220000
      -1: X=0.87780000 Y=0.62220000 Z=0.37780000
      -1: X=0.12220000 Y=0.37780000 Z=0.62220000
Sc         NPT=  781  R0=.000050000 RMT= 2.13        Z:  21.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.10950000 Y=0.15760000 Z=0.38850000
          MULT=24          ISPLIT= 8
      -2: X=0.89050000 Y=0.84240000 Z=0.61150000
      -2: X=0.89050000 Y=0.34240000 Z=0.38850000
      -2: X=0.10950000 Y=0.65760000 Z=0.61150000
      -2: X=0.10950000 Y=0.84240000 Z=0.11150000
      -2: X=0.89050000 Y=0.15760000 Z=0.88850000
      -2: X=0.38850000 Y=0.10950000 Z=0.15760000
      -2: X=0.61150000 Y=0.89050000 Z=0.84240000
      -2: X=0.89050000 Y=0.65760000 Z=0.11150000
      -2: X=0.10950000 Y=0.34240000 Z=0.88850000
      -2: X=0.61150000 Y=0.39050000 Z=0.15760000
      -2: X=0.38850000 Y=0.60950000 Z=0.84240000
      -2: X=0.38850000 Y=0.89050000 Z=0.34240000
      -2: X=0.61150000 Y=0.10950000 Z=0.65760000
      -2: X=0.61150000 Y=0.60950000 Z=0.34240000
      -2: X=0.38850000 Y=0.39050000 Z=0.65760000
      -2: X=0.15760000 Y=0.38850000 Z=0.10950000
      -2: X=0.84240000 Y=0.61150000 Z=0.89050000
      -2: X=0.84240000 Y=0.11150000 Z=0.10950000
      -2: X=0.15760000 Y=0.88850000 Z=0.89050000
      -2: X=0.15760000 Y=0.61150000 Z=0.39050000
      -2: X=0.84240000 Y=0.38850000 Z=0.60950000
      -2: X=0.84240000 Y=0.88850000 Z=0.39050000
      -2: X=0.15760000 Y=0.11150000 Z=0.60950000
Li         NPT=  781  R0=.000100000 RMT= 1.82        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
      -3: X=0.00000000 Y=0.50000000 Z=0.50000000
N          NPT=  781  R0=.000100000 RMT= 1.83        Z:   7.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.23530000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -4: X=0.76470000 Y=0.00000000 Z=0.75000000
      -4: X=0.76470000 Y=0.50000000 Z=0.25000000
      -4: X=0.23530000 Y=0.50000000 Z=0.75000000
      -4: X=0.25000000 Y=0.23530000 Z=0.00000000
      -4: X=0.75000000 Y=0.76470000 Z=0.00000000
      -4: X=0.75000000 Y=0.26470000 Z=0.00000000
      -4: X=0.25000000 Y=0.73530000 Z=0.00000000
      -4: X=0.00000000 Y=0.25000000 Z=0.23530000
      -4: X=0.00000000 Y=0.75000000 Z=0.76470000
      -4: X=0.00000000 Y=0.75000000 Z=0.26470000
      -4: X=0.00000000 Y=0.25000000 Z=0.73530000
N          NPT=  781  R0=.000100000 RMT= 1.83        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000