P   LATTICE,NONEQUIV.ATOMS   5   51 Pmma                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.695850 12.738644 17.092573 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.50000000 Z=0.57444000
          MULT= 2          ISPLIT= 8
      -1: X=0.75000000 Y=0.50000000 Z=0.42556000
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=0.25000000 Y=0.20949000 Z=0.78478000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.79051000 Z=0.21522000
      -2: X=0.75000000 Y=0.20949000 Z=0.21522000
      -2: X=0.25000000 Y=0.79051000 Z=0.78478000
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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.00000000
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  -4: X=0.25000000 Y=0.00000000 Z=0.37410000
          MULT= 2          ISPLIT= 8
      -4: X=0.75000000 Y=0.00000000 Z=0.62590000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25000000 Y=0.50000000 Z=0.13280000
          MULT= 2          ISPLIT= 8
      -5: X=0.75000000 Y=0.50000000 Z=0.86720000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000