H   LATTICE,NONEQUIV.ATOMS   8  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.501208 10.501208 26.512858 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
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=0.33333333 Y=0.66666667 Z=0.14113000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.85887000
Mo         NPT=  781  R0=.000010000 RMT= 1.70        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.56900000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.43100000
Mo         NPT=  781  R0=.000010000 RMT= 1.70        Z:  42.00000              
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=0.00000000 Z=0.28574000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.71426000
Mo         NPT=  781  R0=.000010000 RMT= 1.70        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.15830000 Y=0.84170000 Z=0.18160000
          MULT= 6          ISPLIT= 8
      -5: X=0.84170000 Y=0.15830000 Z=0.81840000
      -5: X=0.15830000 Y=0.31660000 Z=0.18160000
      -5: X=0.84170000 Y=0.68340000 Z=0.81840000
      -5: X=0.68340000 Y=0.84170000 Z=0.18160000
      -5: X=0.31660000 Y=0.15830000 Z=0.81840000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.83630000 Y=0.16370000 Z=0.34530000
          MULT= 6          ISPLIT= 8
      -6: X=0.16370000 Y=0.83630000 Z=0.65470000
      -6: X=0.83630000 Y=0.67260000 Z=0.34530000
      -6: X=0.16370000 Y=0.32740000 Z=0.65470000
      -6: X=0.32740000 Y=0.16370000 Z=0.34530000
      -6: X=0.67260000 Y=0.83630000 Z=0.65470000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.33333333 Y=0.66666667 Z=0.01850000
          MULT= 2          ISPLIT= 4
      -7: X=0.66666667 Y=0.33333333 Z=0.98150000
O          NPT=  781  R0=.000100000 RMT= 1.54        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  -8: X=0.50000000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -8: X=0.00000000 Y=0.50000000 Z=0.50000000
      -8: X=0.50000000 Y=0.50000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000