P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.157245 20.988621 18.221873 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.28174000 Y=0.25000000 Z=0.01461000
          MULT= 4          ISPLIT= 8
      -1: X=0.71826000 Y=0.75000000 Z=0.98539000
      -1: X=0.78174000 Y=0.25000000 Z=0.48539000
      -1: X=0.21826000 Y=0.75000000 Z=0.51461000
Ta         NPT=  781  R0=.000005000 RMT= 2.34        Z:  73.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.05029000 Y=0.04291000 Z=0.28959000
          MULT= 8          ISPLIT= 8
      -2: X=0.94971000 Y=0.95709000 Z=0.71041000
      -2: X=0.55029000 Y=0.04291000 Z=0.21041000
      -2: X=0.44971000 Y=0.95709000 Z=0.78959000
      -2: X=0.44971000 Y=0.54291000 Z=0.78959000
      -2: X=0.55029000 Y=0.45709000 Z=0.21041000
      -2: X=0.94971000 Y=0.54291000 Z=0.71041000
      -2: X=0.05029000 Y=0.45709000 Z=0.28959000
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  -3: X=0.35440000 Y=0.25000000 Z=0.58400000
          MULT= 4          ISPLIT= 8
      -3: X=0.64560000 Y=0.75000000 Z=0.41600000
      -3: X=0.85440000 Y=0.25000000 Z=0.91600000
      -3: X=0.14560000 Y=0.75000000 Z=0.08400000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.33220000 Y=0.58070000 Z=0.44810000
          MULT= 8          ISPLIT= 8
      -4: X=0.66780000 Y=0.41930000 Z=0.55190000
      -4: X=0.83220000 Y=0.58070000 Z=0.05190000
      -4: X=0.16780000 Y=0.41930000 Z=0.94810000
      -4: X=0.16780000 Y=0.08070000 Z=0.94810000
      -4: X=0.83220000 Y=0.91930000 Z=0.05190000
      -4: X=0.66780000 Y=0.08070000 Z=0.55190000
      -4: X=0.33220000 Y=0.91930000 Z=0.44810000
S          NPT=  781  R0=.000100000 RMT= 1.91        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00030000 Y=0.25000000 Z=0.57810000
          MULT= 4          ISPLIT= 8
      -5: X=0.99970000 Y=0.75000000 Z=0.42190000
      -5: X=0.50030000 Y=0.25000000 Z=0.92190000
      -5: X=0.49970000 Y=0.75000000 Z=0.07810000
S          NPT=  781  R0=.000100000 RMT= 1.91        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.29920000 Y=0.25000000 Z=0.24880000
          MULT= 4          ISPLIT= 8
      -6: X=0.70080000 Y=0.75000000 Z=0.75120000
      -6: X=0.79920000 Y=0.25000000 Z=0.25120000
      -6: X=0.20080000 Y=0.75000000 Z=0.74880000
S          NPT=  781  R0=.000100000 RMT= 1.91        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000