P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.637699 13.286664 17.434613 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18455000 Y=0.25000000 Z=0.68030000
          MULT= 4          ISPLIT= 8
      -1: X=0.81545000 Y=0.75000000 Z=0.31970000
      -1: X=0.68455000 Y=0.25000000 Z=0.81970000
      -1: X=0.31545000 Y=0.75000000 Z=0.18030000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     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=0.06560000 Y=0.25000000 Z=0.18890000
          MULT= 4          ISPLIT= 8
      -2: X=0.93440000 Y=0.75000000 Z=0.81110000
      -2: X=0.56560000 Y=0.25000000 Z=0.31110000
      -2: X=0.43440000 Y=0.75000000 Z=0.68890000
Al         NPT=  781  R0=.000100000 RMT= 1.97        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.07580000 Y=0.00770000 Z=0.32340000
          MULT= 8          ISPLIT= 8
      -3: X=0.92420000 Y=0.99230000 Z=0.67660000
      -3: X=0.57580000 Y=0.00770000 Z=0.17660000
      -3: X=0.42420000 Y=0.99230000 Z=0.82340000
      -3: X=0.42420000 Y=0.50770000 Z=0.82340000
      -3: X=0.57580000 Y=0.49230000 Z=0.17660000
      -3: X=0.92420000 Y=0.50770000 Z=0.67660000
      -3: X=0.07580000 Y=0.49230000 Z=0.32340000
Cl         NPT=  781  R0=.000100000 RMT= 1.97        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.21910000 Y=0.25000000 Z=0.04900000
          MULT= 4          ISPLIT= 8
      -4: X=0.78090000 Y=0.75000000 Z=0.95100000
      -4: X=0.71910000 Y=0.25000000 Z=0.45100000
      -4: X=0.28090000 Y=0.75000000 Z=0.54900000
Cl         NPT=  781  R0=.000100000 RMT= 1.97        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.39910000 Y=0.25000000 Z=0.42540000
          MULT= 4          ISPLIT= 8
      -5: X=0.60090000 Y=0.75000000 Z=0.57460000
      -5: X=0.89910000 Y=0.25000000 Z=0.07460000
      -5: X=0.10090000 Y=0.75000000 Z=0.92540000
Cl         NPT=  781  R0=.000100000 RMT= 1.97        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000