H   LATTICE,NONEQUIV.ATOMS   4  173 P63                                        
MODE OF CALC=RELA unit=bohr                                                    
 16.094797 16.094797  9.888937 90.000000 90.000000120.000000                   
ATOM  -1: X=0.09190000 Y=0.35525000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -1: X=0.73665000 Y=0.09190000 Z=0.50000000
      -1: X=0.64475000 Y=0.73665000 Z=0.00000000
      -1: X=0.90810000 Y=0.64475000 Z=0.50000000
      -1: X=0.26335000 Y=0.90810000 Z=0.00000000
      -1: X=0.35525000 Y=0.26335000 Z=0.50000000
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=0.51390000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.01390000
As         NPT=  781  R0=.000050000 RMT= 1.67        Z:  33.00000              
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=0.83700000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.33700000
O          NPT=  781  R0=.000100000 RMT= 1.51        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  -4: X=0.12010000 Y=0.51700000 Z=0.41700000
          MULT= 6          ISPLIT= 8
      -4: X=0.60310000 Y=0.12010000 Z=0.91700000
      -4: X=0.48300000 Y=0.60310000 Z=0.41700000
      -4: X=0.87990000 Y=0.48300000 Z=0.91700000
      -4: X=0.39690000 Y=0.87990000 Z=0.41700000
      -4: X=0.51700000 Y=0.39690000 Z=0.91700000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000