P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.612814 12.931396 22.829026 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.45601000 Y=0.25000000 Z=0.16291000
          MULT= 4          ISPLIT= 8
      -1: X=0.54399000 Y=0.75000000 Z=0.83709000
      -1: X=0.95601000 Y=0.25000000 Z=0.33709000
      -1: X=0.04399000 Y=0.75000000 Z=0.66291000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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=0.65882000 Y=0.25000000 Z=0.61355000
          MULT= 4          ISPLIT= 8
      -2: X=0.34118000 Y=0.75000000 Z=0.38645000
      -2: X=0.15882000 Y=0.25000000 Z=0.88645000
      -2: X=0.84118000 Y=0.75000000 Z=0.11355000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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  -3: X=0.24770000 Y=0.25000000 Z=0.56845000
          MULT= 4          ISPLIT= 8
      -3: X=0.75230000 Y=0.75000000 Z=0.43155000
      -3: X=0.74770000 Y=0.25000000 Z=0.93155000
      -3: X=0.25230000 Y=0.75000000 Z=0.06845000
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  -4: X=0.01741000 Y=0.25000000 Z=0.60841000
          MULT= 4          ISPLIT= 8
      -4: X=0.98259000 Y=0.75000000 Z=0.39159000
      -4: X=0.51741000 Y=0.25000000 Z=0.89159000
      -4: X=0.48259000 Y=0.75000000 Z=0.10841000
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  -5: X=0.14991000 Y=0.00607000 Z=0.14024000
          MULT= 8          ISPLIT= 8
      -5: X=0.85009000 Y=0.99393000 Z=0.85976000
      -5: X=0.64991000 Y=0.00607000 Z=0.35976000
      -5: X=0.35009000 Y=0.99393000 Z=0.64024000
      -5: X=0.35009000 Y=0.50607000 Z=0.64024000
      -5: X=0.64991000 Y=0.49393000 Z=0.35976000
      -5: X=0.85009000 Y=0.50607000 Z=0.85976000
      -5: X=0.14991000 Y=0.49393000 Z=0.14024000
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  -6: X=0.28384000 Y=0.25000000 Z=0.39033000
          MULT= 4          ISPLIT= 8
      -6: X=0.71616000 Y=0.75000000 Z=0.60967000
      -6: X=0.78384000 Y=0.25000000 Z=0.10967000
      -6: X=0.21616000 Y=0.75000000 Z=0.89033000
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