H   LATTICE,NONEQUIV.ATOMS   4  165 P-3c1                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.462409 13.462409 13.787442 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 1.95        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  -2: X=0.33333333 Y=0.66666667 Z=0.15000000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.85000000
      -2: X=0.33333333 Y=0.66666667 Z=0.65000000
      -2: X=0.66666667 Y=0.33333333 Z=0.35000000
Li         NPT=  781  R0=.000100000 RMT= 1.95        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=0.39000000 Y=0.32000000 Z=0.08000000
          MULT=12          ISPLIT= 8
      -3: X=0.61000000 Y=0.68000000 Z=0.92000000
      -3: X=0.68000000 Y=0.07000000 Z=0.08000000
      -3: X=0.32000000 Y=0.93000000 Z=0.92000000
      -3: X=0.68000000 Y=0.61000000 Z=0.58000000
      -3: X=0.32000000 Y=0.39000000 Z=0.42000000
      -3: X=0.93000000 Y=0.61000000 Z=0.08000000
      -3: X=0.07000000 Y=0.39000000 Z=0.92000000
      -3: X=0.39000000 Y=0.07000000 Z=0.58000000
      -3: X=0.61000000 Y=0.93000000 Z=0.42000000
      -3: X=0.93000000 Y=0.32000000 Z=0.58000000
      -3: X=0.07000000 Y=0.68000000 Z=0.42000000
Li         NPT=  781  R0=.000100000 RMT= 1.95        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  -4: X=0.33000000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.67000000 Y=0.00000000 Z=0.75000000
      -4: X=0.00000000 Y=0.33000000 Z=0.25000000
      -4: X=0.00000000 Y=0.67000000 Z=0.75000000
      -4: X=0.67000000 Y=0.67000000 Z=0.25000000
      -4: X=0.33000000 Y=0.33000000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000