P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.637699 15.027102 10.709078 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.43084000 Y=0.25000000 Z=0.87333000
          MULT= 4          ISPLIT= 8
      -1: X=0.56916000 Y=0.75000000 Z=0.12667000
      -1: X=0.93084000 Y=0.25000000 Z=0.62667000
      -1: X=0.06916000 Y=0.75000000 Z=0.37333000
K          NPT=  781  R0=.000050000 RMT= 2.39        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.35642000 Y=0.00799000 Z=0.32411000
          MULT= 8          ISPLIT= 8
      -2: X=0.64358000 Y=0.99201000 Z=0.67589000
      -2: X=0.85642000 Y=0.00799000 Z=0.17589000
      -2: X=0.14358000 Y=0.99201000 Z=0.82411000
      -2: X=0.14358000 Y=0.50799000 Z=0.82411000
      -2: X=0.85642000 Y=0.49201000 Z=0.17589000
      -2: X=0.64358000 Y=0.50799000 Z=0.67589000
      -2: X=0.35642000 Y=0.49201000 Z=0.32411000
K          NPT=  781  R0=.000050000 RMT= 2.39        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.11708000 Y=0.25000000 Z=0.21532000
          MULT= 4          ISPLIT= 8
      -3: X=0.88292000 Y=0.75000000 Z=0.78468000
      -3: X=0.61708000 Y=0.25000000 Z=0.28468000
      -3: X=0.38292000 Y=0.75000000 Z=0.71532000
N          NPT=  781  R0=.000100000 RMT= 1.27        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.02076000 Y=0.25000000 Z=0.05315000
          MULT= 4          ISPLIT= 8
      -4: X=0.97924000 Y=0.75000000 Z=0.94685000
      -4: X=0.52076000 Y=0.25000000 Z=0.44685000
      -4: X=0.47924000 Y=0.75000000 Z=0.55315000
O          NPT=  781  R0=.000100000 RMT= 1.34        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.22701000 Y=0.25000000 Z=0.09234000
          MULT= 4          ISPLIT= 8
      -5: X=0.77299000 Y=0.75000000 Z=0.90766000
      -5: X=0.72701000 Y=0.25000000 Z=0.40766000
      -5: X=0.27299000 Y=0.75000000 Z=0.59234000
O          NPT=  781  R0=.000100000 RMT= 1.34        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.10872000 Y=0.10594000 Z=0.35231000
          MULT= 8          ISPLIT= 8
      -6: X=0.89128000 Y=0.89406000 Z=0.64769000
      -6: X=0.60872000 Y=0.10594000 Z=0.14769000
      -6: X=0.39128000 Y=0.89406000 Z=0.85231000
      -6: X=0.39128000 Y=0.60594000 Z=0.85231000
      -6: X=0.60872000 Y=0.39406000 Z=0.14769000
      -6: X=0.89128000 Y=0.60594000 Z=0.64769000
      -6: X=0.10872000 Y=0.39406000 Z=0.35231000
O          NPT=  781  R0=.000100000 RMT= 1.34        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000