B   LATTICE,NONEQUIV.ATOMS   6   74 Imma                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.573018 37.238943 15.930391 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.14381000 Z=0.04153000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.85619000 Z=0.95847000
      -1: X=0.00000000 Y=0.64381000 Z=0.95847000
      -1: X=0.00000000 Y=0.35619000 Z=0.04153000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.25000000 Y=0.06181000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.93819000 Z=0.75000000
      -2: X=0.25000000 Y=0.56181000 Z=0.75000000
      -2: X=0.75000000 Y=0.43819000 Z=0.25000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.25000000 Z=0.83638000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.75000000 Z=0.16362000
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=0.00000000 Y=0.08790000 Z=0.62230000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.91210000 Z=0.37770000
      -5: X=0.00000000 Y=0.58790000 Z=0.37770000
      -5: X=0.00000000 Y=0.41210000 Z=0.62230000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.25000000 Z=0.37980000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.75000000 Z=0.62020000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000