P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.530989 20.664155 17.481856 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04077000 Y=0.54111000 Z=0.29421000
          MULT= 8          ISPLIT= 8
      -1: X=0.95923000 Y=0.45889000 Z=0.70579000
      -1: X=0.54077000 Y=0.54111000 Z=0.20579000
      -1: X=0.45923000 Y=0.45889000 Z=0.79421000
      -1: X=0.45923000 Y=0.04111000 Z=0.79421000
      -1: X=0.54077000 Y=0.95889000 Z=0.20579000
      -1: X=0.95923000 Y=0.04111000 Z=0.70579000
      -1: X=0.04077000 Y=0.95889000 Z=0.29421000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.15553000 Y=0.25000000 Z=0.08945000
          MULT= 4          ISPLIT= 8
      -2: X=0.84447000 Y=0.75000000 Z=0.91055000
      -2: X=0.65553000 Y=0.25000000 Z=0.41055000
      -2: X=0.34447000 Y=0.75000000 Z=0.58945000
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  -3: X=0.02031000 Y=0.25000000 Z=0.43031000
          MULT= 4          ISPLIT= 8
      -3: X=0.97969000 Y=0.75000000 Z=0.56969000
      -3: X=0.52031000 Y=0.25000000 Z=0.06969000
      -3: X=0.47969000 Y=0.75000000 Z=0.93031000
S          NPT=  781  R0=.000100000 RMT= 1.97        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=0.32921000 Y=0.09538000 Z=0.45449000
          MULT= 8          ISPLIT= 8
      -4: X=0.67079000 Y=0.90462000 Z=0.54551000
      -4: X=0.82921000 Y=0.09538000 Z=0.04551000
      -4: X=0.17079000 Y=0.90462000 Z=0.95449000
      -4: X=0.17079000 Y=0.59538000 Z=0.95449000
      -4: X=0.82921000 Y=0.40462000 Z=0.04551000
      -4: X=0.67079000 Y=0.59538000 Z=0.54551000
      -4: X=0.32921000 Y=0.40462000 Z=0.45449000
S          NPT=  781  R0=.000100000 RMT= 1.97        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=0.20929000 Y=0.25000000 Z=0.73980000
          MULT= 4          ISPLIT= 8
      -5: X=0.79071000 Y=0.75000000 Z=0.26020000
      -5: X=0.70929000 Y=0.25000000 Z=0.76020000
      -5: X=0.29071000 Y=0.75000000 Z=0.23980000
S          NPT=  781  R0=.000100000 RMT= 1.97        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  -6: X=0.22326000 Y=0.25000000 Z=0.51937000
          MULT= 4          ISPLIT= 8
      -6: X=0.77674000 Y=0.75000000 Z=0.48063000
      -6: X=0.72326000 Y=0.25000000 Z=0.98063000
      -6: X=0.27674000 Y=0.75000000 Z=0.01937000
P          NPT=  781  R0=.000100000 RMT= 1.87        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000