P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.198003 18.750619 12.486365 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.31515000 Y=0.25000000 Z=0.17466000
          MULT= 4          ISPLIT= 8
      -1: X=0.68485000 Y=0.75000000 Z=0.82534000
      -1: X=0.81515000 Y=0.25000000 Z=0.32534000
      -1: X=0.18485000 Y=0.75000000 Z=0.67466000
As         NPT=  781  R0=.000050000 RMT= 2.24        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.08509000 Y=0.25000000 Z=0.60525000
          MULT= 4          ISPLIT= 8
      -2: X=0.91491000 Y=0.75000000 Z=0.39475000
      -2: X=0.58509000 Y=0.25000000 Z=0.89475000
      -2: X=0.41491000 Y=0.75000000 Z=0.10525000
As         NPT=  781  R0=.000050000 RMT= 2.24        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.07106000 Y=0.62459000 Z=0.21143000
          MULT= 8          ISPLIT= 8
      -3: X=0.92894000 Y=0.37541000 Z=0.78857000
      -3: X=0.57106000 Y=0.62459000 Z=0.28857000
      -3: X=0.42894000 Y=0.37541000 Z=0.71143000
      -3: X=0.42894000 Y=0.12459000 Z=0.71143000
      -3: X=0.57106000 Y=0.87541000 Z=0.28857000
      -3: X=0.92894000 Y=0.12459000 Z=0.78857000
      -3: X=0.07106000 Y=0.87541000 Z=0.21143000
As         NPT=  781  R0=.000050000 RMT= 2.24        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20145000 Y=0.58000000 Z=0.45470000
          MULT= 8          ISPLIT= 8
      -4: X=0.79855000 Y=0.42000000 Z=0.54530000
      -4: X=0.70145000 Y=0.58000000 Z=0.04530000
      -4: X=0.29855000 Y=0.42000000 Z=0.95470000
      -4: X=0.29855000 Y=0.08000000 Z=0.95470000
      -4: X=0.70145000 Y=0.92000000 Z=0.04530000
      -4: X=0.79855000 Y=0.08000000 Z=0.54530000
      -4: X=0.20145000 Y=0.92000000 Z=0.45470000
S          NPT=  781  R0=.000100000 RMT= 1.93        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=0.01280000 Y=0.25000000 Z=0.29120000
          MULT= 4          ISPLIT= 8
      -5: X=0.98720000 Y=0.75000000 Z=0.70880000
      -5: X=0.51280000 Y=0.25000000 Z=0.20880000
      -5: X=0.48720000 Y=0.75000000 Z=0.79120000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000