H   LATTICE,NONEQUIV.ATOMS   5  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.209186 13.209186 19.401818 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.05570000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.94430000
      -1: X=0.66666666 Y=0.33333333 Z=0.55570000
      -1: X=0.33333334 Y=0.66666667 Z=0.44430000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
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=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 1.91        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36760000 Y=0.12440000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.63240000 Y=0.87560000 Z=0.75000000
      -3: X=0.24320000 Y=0.36760000 Z=0.75000000
      -3: X=0.75680000 Y=0.63240000 Z=0.25000000
      -3: X=0.87560000 Y=0.24320000 Z=0.25000000
      -3: X=0.12440000 Y=0.75680000 Z=0.75000000
Ge         NPT=  781  R0=.000050000 RMT= 1.65        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.59900000 Y=0.06420000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.40100000 Y=0.93580000 Z=0.75000000
      -4: X=0.53480000 Y=0.59900000 Z=0.75000000
      -4: X=0.46520000 Y=0.40100000 Z=0.25000000
      -4: X=0.93580000 Y=0.53480000 Z=0.25000000
      -4: X=0.06420000 Y=0.46520000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.22020000 Y=0.00150000 Z=0.11590000
          MULT=12          ISPLIT= 8
      -5: X=0.77980000 Y=0.99850000 Z=0.88410000
      -5: X=0.21870000 Y=0.22020000 Z=0.61590000
      -5: X=0.78130000 Y=0.77980000 Z=0.38410000
      -5: X=0.99850000 Y=0.21870000 Z=0.11590000
      -5: X=0.00150000 Y=0.78130000 Z=0.88410000
      -5: X=0.77980000 Y=0.99850000 Z=0.61590000
      -5: X=0.22020000 Y=0.00150000 Z=0.38410000
      -5: X=0.78130000 Y=0.77980000 Z=0.11590000
      -5: X=0.21870000 Y=0.22020000 Z=0.88410000
      -5: X=0.00150000 Y=0.78130000 Z=0.61590000
      -5: X=0.99850000 Y=0.21870000 Z=0.38410000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000