P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.180385 12.506208 13.186509 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15968000 Y=0.25000000 Z=0.45078000
          MULT= 4          ISPLIT= 8
      -1: X=0.84032000 Y=0.75000000 Z=0.54922000
      -1: X=0.65968000 Y=0.25000000 Z=0.04922000
      -1: X=0.34032000 Y=0.75000000 Z=0.95078000
Mo         NPT=  781  R0=.000010000 RMT= 1.67        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.34480000 Y=0.25000000 Z=0.03872000
          MULT= 4          ISPLIT= 8
      -2: X=0.65520000 Y=0.75000000 Z=0.96128000
      -2: X=0.84480000 Y=0.25000000 Z=0.46128000
      -2: X=0.15520000 Y=0.75000000 Z=0.53872000
As         NPT=  781  R0=.000050000 RMT= 1.65        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.50000000
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.44        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  -4: X=0.14940000 Y=0.54470000 Z=0.39380000
          MULT= 8          ISPLIT= 8
      -4: X=0.85060000 Y=0.45530000 Z=0.60620000
      -4: X=0.64940000 Y=0.54470000 Z=0.10620000
      -4: X=0.35060000 Y=0.45530000 Z=0.89380000
      -4: X=0.35060000 Y=0.04470000 Z=0.89380000
      -4: X=0.64940000 Y=0.95530000 Z=0.10620000
      -4: X=0.85060000 Y=0.04470000 Z=0.60620000
      -4: X=0.14940000 Y=0.95530000 Z=0.39380000
O          NPT=  781  R0=.000100000 RMT= 1.49        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=0.20550000 Y=0.25000000 Z=0.14950000
          MULT= 4          ISPLIT= 8
      -5: X=0.79450000 Y=0.75000000 Z=0.85050000
      -5: X=0.70550000 Y=0.25000000 Z=0.35050000
      -5: X=0.29450000 Y=0.75000000 Z=0.64950000
O          NPT=  781  R0=.000100000 RMT= 1.49        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=0.46950000 Y=0.25000000 Z=0.18270000
          MULT= 4          ISPLIT= 8
      -6: X=0.53050000 Y=0.75000000 Z=0.81730000
      -6: X=0.96950000 Y=0.25000000 Z=0.31730000
      -6: X=0.03050000 Y=0.75000000 Z=0.68270000
O          NPT=  781  R0=.000100000 RMT= 1.49        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  -7: X=0.09110000 Y=0.25000000 Z=0.67050000
          MULT= 4          ISPLIT= 8
      -7: X=0.90890000 Y=0.75000000 Z=0.32950000
      -7: X=0.59110000 Y=0.25000000 Z=0.82950000
      -7: X=0.40890000 Y=0.75000000 Z=0.17050000
O          NPT=  781  R0=.000100000 RMT= 1.49        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  -8: X=0.31240000 Y=0.25000000 Z=0.51350000
          MULT= 4          ISPLIT= 8
      -8: X=0.68760000 Y=0.75000000 Z=0.48650000
      -8: X=0.81240000 Y=0.25000000 Z=0.98650000
      -8: X=0.18760000 Y=0.75000000 Z=0.01350000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000