P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.253999 13.294979 23.500634 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.24700000 Y=0.25000000 Z=0.07553000
          MULT= 4          ISPLIT= 8
      -1: X=0.75300000 Y=0.75000000 Z=0.92447000
      -1: X=0.74700000 Y=0.25000000 Z=0.42447000
      -1: X=0.25300000 Y=0.75000000 Z=0.57553000
Mo         NPT=  781  R0=.000010000 RMT= 2.20        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=0.02351000 Y=0.25000000 Z=0.10592000
          MULT= 4          ISPLIT= 8
      -2: X=0.97649000 Y=0.75000000 Z=0.89408000
      -2: X=0.52351000 Y=0.25000000 Z=0.39408000
      -2: X=0.47649000 Y=0.75000000 Z=0.60592000
S          NPT=  781  R0=.000100000 RMT= 1.89        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  -3: X=0.29156000 Y=0.25000000 Z=0.90358000
          MULT= 4          ISPLIT= 8
      -3: X=0.70844000 Y=0.75000000 Z=0.09642000
      -3: X=0.79156000 Y=0.25000000 Z=0.59642000
      -3: X=0.20844000 Y=0.75000000 Z=0.40358000
S          NPT=  781  R0=.000100000 RMT= 1.89        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  -4: X=0.34077000 Y=0.50076000 Z=0.14797000
          MULT= 8          ISPLIT= 8
      -4: X=0.65923000 Y=0.49924000 Z=0.85203000
      -4: X=0.84077000 Y=0.50076000 Z=0.35203000
      -4: X=0.15923000 Y=0.49924000 Z=0.64797000
      -4: X=0.15923000 Y=0.00076000 Z=0.64797000
      -4: X=0.84077000 Y=0.99924000 Z=0.35203000
      -4: X=0.65923000 Y=0.00076000 Z=0.85203000
      -4: X=0.34077000 Y=0.99924000 Z=0.14797000
S          NPT=  781  R0=.000100000 RMT= 1.89        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=0.46273000 Y=0.25000000 Z=0.66734000
          MULT= 4          ISPLIT= 8
      -5: X=0.53727000 Y=0.75000000 Z=0.33266000
      -5: X=0.96273000 Y=0.25000000 Z=0.83266000
      -5: X=0.03727000 Y=0.75000000 Z=0.16734000
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  -6: X=0.15706000 Y=0.25000000 Z=0.39354000
          MULT= 4          ISPLIT= 8
      -6: X=0.84294000 Y=0.75000000 Z=0.60646000
      -6: X=0.65706000 Y=0.25000000 Z=0.10646000
      -6: X=0.34294000 Y=0.75000000 Z=0.89354000
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