P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.747028 21.745079 18.785012 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04691000 Y=0.54019000 Z=0.29120000
          MULT= 8          ISPLIT= 8
      -1: X=0.95309000 Y=0.45981000 Z=0.70880000
      -1: X=0.54691000 Y=0.54019000 Z=0.20880000
      -1: X=0.45309000 Y=0.45981000 Z=0.79120000
      -1: X=0.45309000 Y=0.04019000 Z=0.79120000
      -1: X=0.54691000 Y=0.95981000 Z=0.20880000
      -1: X=0.95309000 Y=0.04019000 Z=0.70880000
      -1: X=0.04691000 Y=0.95981000 Z=0.29120000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.14991000 Y=0.25000000 Z=0.08566000
          MULT= 4          ISPLIT= 8
      -2: X=0.85009000 Y=0.75000000 Z=0.91434000
      -2: X=0.64991000 Y=0.25000000 Z=0.41434000
      -2: X=0.35009000 Y=0.75000000 Z=0.58566000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.22220000 Y=0.25000000 Z=0.51653000
          MULT= 4          ISPLIT= 8
      -3: X=0.77780000 Y=0.75000000 Z=0.48347000
      -3: X=0.72220000 Y=0.25000000 Z=0.98347000
      -3: X=0.27780000 Y=0.75000000 Z=0.01653000
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  -4: X=0.33203000 Y=0.08637000 Z=0.45161000
          MULT= 8          ISPLIT= 8
      -4: X=0.66797000 Y=0.91363000 Z=0.54839000
      -4: X=0.83203000 Y=0.08637000 Z=0.04839000
      -4: X=0.16797000 Y=0.91363000 Z=0.95161000
      -4: X=0.16797000 Y=0.58637000 Z=0.95161000
      -4: X=0.83203000 Y=0.41363000 Z=0.04839000
      -4: X=0.66797000 Y=0.58637000 Z=0.54839000
      -4: X=0.33203000 Y=0.41363000 Z=0.45161000
S          NPT=  781  R0=.000100000 RMT= 1.92        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=0.01011000 Y=0.25000000 Z=0.42884000
          MULT= 4          ISPLIT= 8
      -5: X=0.98989000 Y=0.75000000 Z=0.57116000
      -5: X=0.51011000 Y=0.25000000 Z=0.07116000
      -5: X=0.48989000 Y=0.75000000 Z=0.92884000
S          NPT=  781  R0=.000100000 RMT= 1.92        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=0.20718000 Y=0.25000000 Z=0.74462000
          MULT= 4          ISPLIT= 8
      -6: X=0.79282000 Y=0.75000000 Z=0.25538000
      -6: X=0.70718000 Y=0.25000000 Z=0.75538000
      -6: X=0.29282000 Y=0.75000000 Z=0.24462000
S          NPT=  781  R0=.000100000 RMT= 1.92        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000