P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 24.202290 10.327164 15.383883 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.29239000 Y=0.25000000 Z=0.50520000
          MULT= 4          ISPLIT= 8
      -1: X=0.70761000 Y=0.75000000 Z=0.49480000
      -1: X=0.79239000 Y=0.25000000 Z=0.99480000
      -1: X=0.20761000 Y=0.75000000 Z=0.00520000
Se         NPT=  781  R0=.000050000 RMT= 1.66        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  -2: X=0.06884000 Y=0.25000000 Z=0.21817000
          MULT= 4          ISPLIT= 8
      -2: X=0.93116000 Y=0.75000000 Z=0.78183000
      -2: X=0.56884000 Y=0.25000000 Z=0.28183000
      -2: X=0.43116000 Y=0.75000000 Z=0.71817000
Se         NPT=  781  R0=.000050000 RMT= 1.66        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=0.09986000 Y=0.25000000 Z=0.80008000
          MULT= 4          ISPLIT= 8
      -3: X=0.90014000 Y=0.75000000 Z=0.19992000
      -3: X=0.59986000 Y=0.25000000 Z=0.69992000
      -3: X=0.40014000 Y=0.75000000 Z=0.30008000
Sc         NPT=  781  R0=.000050000 RMT= 2.03        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  -4: X=0.88614000 Y=0.25000000 Z=0.51190000
          MULT= 4          ISPLIT= 8
      -4: X=0.11386000 Y=0.75000000 Z=0.48810000
      -4: X=0.38614000 Y=0.25000000 Z=0.98810000
      -4: X=0.61386000 Y=0.75000000 Z=0.01190000
Na         NPT=  781  R0=.000100000 RMT= 2.38        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.28977000 Y=0.00890000 Z=0.37670000
          MULT= 8          ISPLIT= 8
      -5: X=0.71023000 Y=0.99110000 Z=0.62330000
      -5: X=0.78977000 Y=0.00890000 Z=0.12330000
      -5: X=0.21023000 Y=0.99110000 Z=0.87670000
      -5: X=0.21023000 Y=0.50890000 Z=0.87670000
      -5: X=0.78977000 Y=0.49110000 Z=0.12330000
      -5: X=0.71023000 Y=0.50890000 Z=0.62330000
      -5: X=0.28977000 Y=0.49110000 Z=0.37670000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -6: X=0.16620000 Y=0.25000000 Z=0.56410000
          MULT= 4          ISPLIT= 8
      -6: X=0.83380000 Y=0.75000000 Z=0.43590000
      -6: X=0.66620000 Y=0.25000000 Z=0.93590000
      -6: X=0.33380000 Y=0.75000000 Z=0.06410000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -7: X=0.00289000 Y=0.01230000 Z=0.30070000
          MULT= 8          ISPLIT= 8
      -7: X=0.99711000 Y=0.98770000 Z=0.69930000
      -7: X=0.50289000 Y=0.01230000 Z=0.19930000
      -7: X=0.49711000 Y=0.98770000 Z=0.80070000
      -7: X=0.49711000 Y=0.51230000 Z=0.80070000
      -7: X=0.50289000 Y=0.48770000 Z=0.19930000
      -7: X=0.99711000 Y=0.51230000 Z=0.69930000
      -7: X=0.00289000 Y=0.48770000 Z=0.30070000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -8: X=0.02490000 Y=0.25000000 Z=0.02380000
          MULT= 4          ISPLIT= 8
      -8: X=0.97510000 Y=0.75000000 Z=0.97620000
      -8: X=0.52490000 Y=0.25000000 Z=0.47620000
      -8: X=0.47510000 Y=0.75000000 Z=0.52380000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000