P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.648892 12.673826 10.143294 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.40950000 Y=0.25000000 Z=0.26510000
          MULT= 4          ISPLIT= 8
      -1: X=0.59050000 Y=0.75000000 Z=0.73490000
      -1: X=0.90950000 Y=0.25000000 Z=0.23490000
      -1: X=0.09050000 Y=0.75000000 Z=0.76510000
Tl         NPT=  781  R0=.000005000 RMT= 2.38        Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.16630000 Y=0.00050000 Z=0.24950000
          MULT= 8          ISPLIT= 8
      -2: X=0.83370000 Y=0.99950000 Z=0.75050000
      -2: X=0.66630000 Y=0.00050000 Z=0.25050000
      -2: X=0.33370000 Y=0.99950000 Z=0.74950000
      -2: X=0.33370000 Y=0.50050000 Z=0.74950000
      -2: X=0.66630000 Y=0.49950000 Z=0.25050000
      -2: X=0.83370000 Y=0.50050000 Z=0.75050000
      -2: X=0.16630000 Y=0.49950000 Z=0.24950000
Na         NPT=  781  R0=.000100000 RMT= 2.14        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.07820000 Y=0.25000000 Z=0.74330000
          MULT= 4          ISPLIT= 8
      -3: X=0.92180000 Y=0.75000000 Z=0.25670000
      -3: X=0.57820000 Y=0.25000000 Z=0.75670000
      -3: X=0.42180000 Y=0.75000000 Z=0.24330000
Na         NPT=  781  R0=.000100000 RMT= 2.14        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.50000000 Y=0.00000000 Z=0.50000000
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
      -4: X=0.00000000 Y=0.50000000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.94        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  -5: X=0.24420000 Y=0.25000000 Z=0.50820000
          MULT= 4          ISPLIT= 8
      -5: X=0.75580000 Y=0.75000000 Z=0.49180000
      -5: X=0.74420000 Y=0.25000000 Z=0.99180000
      -5: X=0.25580000 Y=0.75000000 Z=0.00820000
O          NPT=  781  R0=.000100000 RMT= 1.94        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000