B   LATTICE,NONEQUIV.ATOMS   6  109 I41md                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.587131 13.587131 19.339457 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.85380000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.10380000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.26930000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -2: X=0.73070000 Y=0.50000000 Z=0.75000000
      -2: X=0.00000000 Y=0.73070000 Z=0.50000000
      -2: X=0.26930000 Y=0.50000000 Z=0.75000000
N          NPT=  781  R0=.000100000 RMT= 2.01        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.31340000 Y=0.25830000 Z=0.17220000
          MULT= 8          ISPLIT= 8
      -3: X=0.74170000 Y=0.81340000 Z=0.42220000
      -3: X=0.68660000 Y=0.25830000 Z=0.17220000
      -3: X=0.68660000 Y=0.74170000 Z=0.17220000
      -3: X=0.74170000 Y=0.18660000 Z=0.42220000
      -3: X=0.25830000 Y=0.18660000 Z=0.42220000
      -3: X=0.31340000 Y=0.74170000 Z=0.17220000
      -3: X=0.25830000 Y=0.81340000 Z=0.42220000
Li         NPT=  781  R0=.000100000 RMT= 1.73        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=0.00000000 Y=0.15490000 Z=0.30610000
          MULT= 4          ISPLIT= 8
      -4: X=0.84510000 Y=0.50000000 Z=0.55610000
      -4: X=0.00000000 Y=0.84510000 Z=0.30610000
      -4: X=0.15490000 Y=0.50000000 Z=0.55610000
Li         NPT=  781  R0=.000100000 RMT= 1.73        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.54400000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.50000000 Z=0.79400000
Li         NPT=  781  R0=.000100000 RMT= 1.73        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  -6: X=0.00000000 Y=0.00000000 Z=0.11950000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.50000000 Z=0.36950000
Li         NPT=  781  R0=.000100000 RMT= 1.73        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000