P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 32.860448 14.768210  9.127944 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.36780000 Y=0.25000000 Z=0.08100000
          MULT= 4          ISPLIT= 8
      -1: X=0.63220000 Y=0.75000000 Z=0.91900000
      -1: X=0.86780000 Y=0.25000000 Z=0.41900000
      -1: X=0.13220000 Y=0.75000000 Z=0.58100000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.11814000 Y=0.50693000 Z=0.15564000
          MULT= 8          ISPLIT= 8
      -2: X=0.88186000 Y=0.49307000 Z=0.84436000
      -2: X=0.61814000 Y=0.50693000 Z=0.34436000
      -2: X=0.38186000 Y=0.49307000 Z=0.65564000
      -2: X=0.38186000 Y=0.00693000 Z=0.65564000
      -2: X=0.61814000 Y=0.99307000 Z=0.34436000
      -2: X=0.88186000 Y=0.00693000 Z=0.84436000
      -2: X=0.11814000 Y=0.99307000 Z=0.15564000
S          NPT=  781  R0=.000100000 RMT= 1.46        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  -3: X=0.04777000 Y=0.25000000 Z=0.47725000
          MULT= 4          ISPLIT= 8
      -3: X=0.95223000 Y=0.75000000 Z=0.52275000
      -3: X=0.54777000 Y=0.25000000 Z=0.02275000
      -3: X=0.45223000 Y=0.75000000 Z=0.97725000
S          NPT=  781  R0=.000100000 RMT= 1.46        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=0.20682000 Y=0.25000000 Z=0.41565000
          MULT= 4          ISPLIT= 8
      -4: X=0.79318000 Y=0.75000000 Z=0.58435000
      -4: X=0.70682000 Y=0.25000000 Z=0.08435000
      -4: X=0.29318000 Y=0.75000000 Z=0.91565000
S          NPT=  781  R0=.000100000 RMT= 1.46        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=0.04333000 Y=0.08600000 Z=0.25050000
          MULT= 8          ISPLIT= 8
      -5: X=0.95667000 Y=0.91400000 Z=0.74950000
      -5: X=0.54333000 Y=0.08600000 Z=0.24950000
      -5: X=0.45667000 Y=0.91400000 Z=0.75050000
      -5: X=0.45667000 Y=0.58600000 Z=0.75050000
      -5: X=0.54333000 Y=0.41400000 Z=0.24950000
      -5: X=0.95667000 Y=0.58600000 Z=0.74950000
      -5: X=0.04333000 Y=0.41400000 Z=0.25050000
N          NPT=  781  R0=.000100000 RMT= 1.46        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.19687000 Y=0.08290000 Z=0.19940000
          MULT= 8          ISPLIT= 8
      -6: X=0.80313000 Y=0.91710000 Z=0.80060000
      -6: X=0.69687000 Y=0.08290000 Z=0.30060000
      -6: X=0.30313000 Y=0.91710000 Z=0.69940000
      -6: X=0.30313000 Y=0.58290000 Z=0.69940000
      -6: X=0.69687000 Y=0.41710000 Z=0.30060000
      -6: X=0.80313000 Y=0.58290000 Z=0.80060000
      -6: X=0.19687000 Y=0.41710000 Z=0.19940000
N          NPT=  781  R0=.000100000 RMT= 1.46        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.13202000 Y=0.25000000 Z=0.62230000
          MULT= 4          ISPLIT= 8
      -7: X=0.86798000 Y=0.75000000 Z=0.37770000
      -7: X=0.63202000 Y=0.25000000 Z=0.87770000
      -7: X=0.36798000 Y=0.75000000 Z=0.12230000
N          NPT=  781  R0=.000100000 RMT= 1.46        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000