H   LATTICE,NONEQUIV.ATOMS   7  150 P321                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.139816 17.139816  9.418395 90.000000 90.000000120.000000                   
ATOM  -1: X=0.62306000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.00000000 Y=0.62306000 Z=0.00000000
      -1: X=0.37694000 Y=0.37694000 Z=0.00000000
Tl         NPT=  781  R0=.000005000 RMT= 2.14        Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.28558000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.28558000 Z=0.50000000
      -2: X=0.71442000 Y=0.71442000 Z=0.50000000
Tl         NPT=  781  R0=.000005000 RMT= 2.14        Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Te         NPT=  781  R0=.000010000 RMT= 1.97        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  -4: X=0.33333333 Y=0.66666667 Z=0.49875000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.50125000
Te         NPT=  781  R0=.000010000 RMT= 1.97        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  -5: X=0.20720000 Y=0.11950000 Z=0.22690000
          MULT= 6          ISPLIT= 8
      -5: X=0.88050000 Y=0.08770000 Z=0.22690000
      -5: X=0.11950000 Y=0.20720000 Z=0.77310000
      -5: X=0.91230000 Y=0.79280000 Z=0.22690000
      -5: X=0.79280000 Y=0.91230000 Z=0.77310000
      -5: X=0.08770000 Y=0.88050000 Z=0.77310000
O          NPT=  781  R0=.000100000 RMT= 1.69        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  -6: X=0.53940000 Y=0.13440000 Z=0.25830000
          MULT= 6          ISPLIT= 8
      -6: X=0.86560000 Y=0.40500000 Z=0.25830000
      -6: X=0.13440000 Y=0.53940000 Z=0.74170000
      -6: X=0.59500000 Y=0.46060000 Z=0.25830000
      -6: X=0.46060000 Y=0.59500000 Z=0.74170000
      -6: X=0.40500000 Y=0.86560000 Z=0.74170000
O          NPT=  781  R0=.000100000 RMT= 1.69        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  -7: X=0.24250000 Y=0.46190000 Z=0.27890000
          MULT= 6          ISPLIT= 8
      -7: X=0.53810000 Y=0.78060000 Z=0.27890000
      -7: X=0.46190000 Y=0.24250000 Z=0.72110000
      -7: X=0.21940000 Y=0.75750000 Z=0.27890000
      -7: X=0.75750000 Y=0.21940000 Z=0.72110000
      -7: X=0.78060000 Y=0.53810000 Z=0.72110000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000