P   LATTICE,NONEQUIV.ATOMS   6   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.379029 26.998706 12.331219 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.03405000 Y=0.39011000 Z=0.47650000
          MULT= 4          ISPLIT= 8
      -1: X=0.96595000 Y=0.60989000 Z=0.97650000
      -1: X=0.46595000 Y=0.89011000 Z=0.97650000
      -1: X=0.53405000 Y=0.10989000 Z=0.47650000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03603000 Y=0.14054000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.96397000 Y=0.85946000 Z=0.50000000
      -2: X=0.46397000 Y=0.64054000 Z=0.50000000
      -2: X=0.53603000 Y=0.35946000 Z=0.00000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12400000 Y=0.03443000 Z=0.36480000
          MULT= 4          ISPLIT= 8
      -3: X=0.87600000 Y=0.96557000 Z=0.86480000
      -3: X=0.37600000 Y=0.53443000 Z=0.86480000
      -3: X=0.62400000 Y=0.46557000 Z=0.36480000
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  -4: X=0.41723000 Y=0.29586000 Z=0.59130000
          MULT= 4          ISPLIT= 8
      -4: X=0.58277000 Y=0.70414000 Z=0.09130000
      -4: X=0.08277000 Y=0.79586000 Z=0.09130000
      -4: X=0.91723000 Y=0.20414000 Z=0.59130000
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  -5: X=0.10720000 Y=0.57111000 Z=0.35690000
          MULT= 4          ISPLIT= 8
      -5: X=0.89280000 Y=0.42889000 Z=0.85690000
      -5: X=0.39280000 Y=0.07111000 Z=0.85690000
      -5: X=0.60720000 Y=0.92889000 Z=0.35690000
Sb         NPT=  781  R0=.000010000 RMT= 2.46        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.15110000 Y=0.31854000 Z=0.11180000
          MULT= 4          ISPLIT= 8
      -6: X=0.84890000 Y=0.68146000 Z=0.61180000
      -6: X=0.34890000 Y=0.81854000 Z=0.61180000
      -6: X=0.65110000 Y=0.18146000 Z=0.11180000
Sb         NPT=  781  R0=.000010000 RMT= 2.46        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000