H   LATTICE,NONEQUIV.ATOMS   7  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.928167 16.928167 10.625930 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Pd         NPT=  781  R0=.000010000 RMT= 2.48        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT= 2.48        Z:  46.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.50000000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -3: X=0.00000000 Y=0.50000000 Z=0.50000000
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
Pd         NPT=  781  R0=.000010000 RMT= 2.48        Z:  46.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.15900000 Y=0.84100000 Z=0.24800000
          MULT= 6          ISPLIT= 8
      -4: X=0.84100000 Y=0.15900000 Z=0.75200000
      -4: X=0.15900000 Y=0.31800000 Z=0.24800000
      -4: X=0.84100000 Y=0.68200000 Z=0.75200000
      -4: X=0.68200000 Y=0.84100000 Z=0.24800000
      -4: X=0.31800000 Y=0.15900000 Z=0.75200000
Pd         NPT=  781  R0=.000010000 RMT= 2.48        Z:  46.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.50000000
          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  -6: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -6: X=0.66666667 Y=0.33333333 Z=0.75000000
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  -7: X=0.80400000 Y=0.19600000 Z=0.24600000
          MULT= 6          ISPLIT= 8
      -7: X=0.19600000 Y=0.80400000 Z=0.75400000
      -7: X=0.80400000 Y=0.60800000 Z=0.24600000
      -7: X=0.19600000 Y=0.39200000 Z=0.75400000
      -7: X=0.39200000 Y=0.19600000 Z=0.24600000
      -7: X=0.60800000 Y=0.80400000 Z=0.75400000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000