P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 33.031468 10.590403 13.212587 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10615000 Y=0.25000000 Z=0.63061000
          MULT= 4          ISPLIT= 8
      -1: X=0.89385000 Y=0.75000000 Z=0.36939000
      -1: X=0.60615000 Y=0.25000000 Z=0.86939000
      -1: X=0.39385000 Y=0.75000000 Z=0.13061000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.25181000 Y=0.25000000 Z=0.08479000
          MULT= 4          ISPLIT= 8
      -2: X=0.74819000 Y=0.75000000 Z=0.91521000
      -2: X=0.75181000 Y=0.25000000 Z=0.41521000
      -2: X=0.24819000 Y=0.75000000 Z=0.58479000
Se         NPT=  781  R0=.000050000 RMT= 1.64        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.03110000 Y=0.25000000 Z=0.11008000
          MULT= 4          ISPLIT= 8
      -3: X=0.96890000 Y=0.75000000 Z=0.88992000
      -3: X=0.53110000 Y=0.25000000 Z=0.38992000
      -3: X=0.46890000 Y=0.75000000 Z=0.61008000
Se         NPT=  781  R0=.000050000 RMT= 1.64        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.36979000 Y=0.25000000 Z=0.64710000
          MULT= 4          ISPLIT= 8
      -4: X=0.63021000 Y=0.75000000 Z=0.35290000
      -4: X=0.86979000 Y=0.25000000 Z=0.85290000
      -4: X=0.13021000 Y=0.75000000 Z=0.14710000
Sc         NPT=  781  R0=.000050000 RMT= 2.02        Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.31510000 Y=0.25000000 Z=0.90700000
          MULT= 4          ISPLIT= 8
      -5: X=0.68490000 Y=0.75000000 Z=0.09300000
      -5: X=0.81510000 Y=0.25000000 Z=0.59300000
      -5: X=0.18490000 Y=0.75000000 Z=0.40700000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.19650000 Y=0.01840000 Z=0.02410000
          MULT= 8          ISPLIT= 8
      -6: X=0.80350000 Y=0.98160000 Z=0.97590000
      -6: X=0.69650000 Y=0.01840000 Z=0.47590000
      -6: X=0.30350000 Y=0.98160000 Z=0.52410000
      -6: X=0.30350000 Y=0.51840000 Z=0.52410000
      -6: X=0.69650000 Y=0.48160000 Z=0.47590000
      -6: X=0.80350000 Y=0.51840000 Z=0.97590000
      -6: X=0.19650000 Y=0.48160000 Z=0.02410000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.43440000 Y=0.25000000 Z=0.38510000
          MULT= 4          ISPLIT= 8
      -7: X=0.56560000 Y=0.75000000 Z=0.61490000
      -7: X=0.93440000 Y=0.25000000 Z=0.11490000
      -7: X=0.06560000 Y=0.75000000 Z=0.88510000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.05240000 Y=0.01280000 Z=0.25290000
          MULT= 8          ISPLIT= 8
      -8: X=0.94760000 Y=0.98720000 Z=0.74710000
      -8: X=0.55240000 Y=0.01280000 Z=0.24710000
      -8: X=0.44760000 Y=0.98720000 Z=0.75290000
      -8: X=0.44760000 Y=0.51280000 Z=0.75290000
      -8: X=0.55240000 Y=0.48720000 Z=0.24710000
      -8: X=0.94760000 Y=0.51280000 Z=0.74710000
      -8: X=0.05240000 Y=0.48720000 Z=0.25290000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000