P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.752087 16.143930  9.370774 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12743000 Y=0.25000000 Z=0.41136000
          MULT= 4          ISPLIT= 8
      -1: X=0.87257000 Y=0.75000000 Z=0.58864000
      -1: X=0.62743000 Y=0.25000000 Z=0.08864000
      -1: X=0.37257000 Y=0.75000000 Z=0.91136000
Mo         NPT=  781  R0=.000010000 RMT= 1.75        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=0.24233000 Y=0.25000000 Z=0.11582000
          MULT= 4          ISPLIT= 8
      -2: X=0.75767000 Y=0.75000000 Z=0.88418000
      -2: X=0.74233000 Y=0.25000000 Z=0.38418000
      -2: X=0.25767000 Y=0.75000000 Z=0.61582000
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.23743000 Y=0.09979000 Z=0.56473000
          MULT= 8          ISPLIT= 8
      -3: X=0.76257000 Y=0.90021000 Z=0.43527000
      -3: X=0.73743000 Y=0.09979000 Z=0.93527000
      -3: X=0.26257000 Y=0.90021000 Z=0.06473000
      -3: X=0.26257000 Y=0.59979000 Z=0.06473000
      -3: X=0.73743000 Y=0.40021000 Z=0.93527000
      -3: X=0.76257000 Y=0.59979000 Z=0.43527000
      -3: X=0.23743000 Y=0.40021000 Z=0.56473000
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.01190000 Y=0.25000000 Z=0.70497000
          MULT= 4          ISPLIT= 8
      -4: X=0.98810000 Y=0.75000000 Z=0.29503000
      -4: X=0.51190000 Y=0.25000000 Z=0.79503000
      -4: X=0.48810000 Y=0.75000000 Z=0.20497000
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.01751000 Y=0.09987000 Z=0.25633000
          MULT= 8          ISPLIT= 8
      -5: X=0.98249000 Y=0.90013000 Z=0.74367000
      -5: X=0.51751000 Y=0.09987000 Z=0.24367000
      -5: X=0.48249000 Y=0.90013000 Z=0.75633000
      -5: X=0.48249000 Y=0.59987000 Z=0.75633000
      -5: X=0.51751000 Y=0.40013000 Z=0.24367000
      -5: X=0.98249000 Y=0.59987000 Z=0.74367000
      -5: X=0.01751000 Y=0.40013000 Z=0.25633000
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000