P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.783500 22.047435 18.880632 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15303000 Y=0.25000000 Z=0.08757000
          MULT= 4          ISPLIT= 8
      -1: X=0.84697000 Y=0.75000000 Z=0.91243000
      -1: X=0.65303000 Y=0.25000000 Z=0.41243000
      -1: X=0.34697000 Y=0.75000000 Z=0.58757000
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=0.04519000 Y=0.54146000 Z=0.29536000
          MULT= 8          ISPLIT= 8
      -2: X=0.95481000 Y=0.45854000 Z=0.70464000
      -2: X=0.54519000 Y=0.54146000 Z=0.20464000
      -2: X=0.45481000 Y=0.45854000 Z=0.79536000
      -2: X=0.45481000 Y=0.04146000 Z=0.79536000
      -2: X=0.54519000 Y=0.95854000 Z=0.20464000
      -2: X=0.95481000 Y=0.04146000 Z=0.70464000
      -2: X=0.04519000 Y=0.95854000 Z=0.29536000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.22504000 Y=0.25000000 Z=0.51883000
          MULT= 4          ISPLIT= 8
      -3: X=0.77496000 Y=0.75000000 Z=0.48117000
      -3: X=0.72504000 Y=0.25000000 Z=0.98117000
      -3: X=0.27496000 Y=0.75000000 Z=0.01883000
Sb         NPT=  781  R0=.000010000 RMT= 2.40        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.20330000 Y=0.25000000 Z=0.75120000
          MULT= 4          ISPLIT= 8
      -4: X=0.79670000 Y=0.75000000 Z=0.24880000
      -4: X=0.70330000 Y=0.25000000 Z=0.74880000
      -4: X=0.29670000 Y=0.75000000 Z=0.25120000
S          NPT=  781  R0=.000100000 RMT= 1.96        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=0.01060000 Y=0.25000000 Z=0.42520000
          MULT= 4          ISPLIT= 8
      -5: X=0.98940000 Y=0.75000000 Z=0.57480000
      -5: X=0.51060000 Y=0.25000000 Z=0.07480000
      -5: X=0.48940000 Y=0.75000000 Z=0.92520000
S          NPT=  781  R0=.000100000 RMT= 1.96        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=0.33660000 Y=0.08440000 Z=0.45410000
          MULT= 8          ISPLIT= 8
      -6: X=0.66340000 Y=0.91560000 Z=0.54590000
      -6: X=0.83660000 Y=0.08440000 Z=0.04590000
      -6: X=0.16340000 Y=0.91560000 Z=0.95410000
      -6: X=0.16340000 Y=0.58440000 Z=0.95410000
      -6: X=0.83660000 Y=0.41560000 Z=0.04590000
      -6: X=0.66340000 Y=0.58440000 Z=0.54590000
      -6: X=0.33660000 Y=0.41560000 Z=0.45410000
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000