P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.145150 21.091233 18.468294 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.22054000 Y=0.25000000 Z=0.51727000
          MULT= 4          ISPLIT= 8
      -1: X=0.77946000 Y=0.75000000 Z=0.48273000
      -1: X=0.72054000 Y=0.25000000 Z=0.98273000
      -1: X=0.27946000 Y=0.75000000 Z=0.01727000
Sb         NPT=  781  R0=.000010000 RMT= 2.39        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  -2: X=0.14377000 Y=0.25000000 Z=0.08273000
          MULT= 4          ISPLIT= 8
      -2: X=0.85623000 Y=0.75000000 Z=0.91727000
      -2: X=0.64377000 Y=0.25000000 Z=0.41727000
      -2: X=0.35623000 Y=0.75000000 Z=0.58273000
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=0.05408000 Y=0.54343000 Z=0.29535000
          MULT= 8          ISPLIT= 8
      -3: X=0.94592000 Y=0.45657000 Z=0.70465000
      -3: X=0.55408000 Y=0.54343000 Z=0.20465000
      -3: X=0.44592000 Y=0.45657000 Z=0.79535000
      -3: X=0.44592000 Y=0.04343000 Z=0.79535000
      -3: X=0.55408000 Y=0.95657000 Z=0.20465000
      -3: X=0.94592000 Y=0.04343000 Z=0.70465000
      -3: X=0.05408000 Y=0.95657000 Z=0.29535000
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  -4: X=0.19257000 Y=0.25000000 Z=0.75362000
          MULT= 4          ISPLIT= 8
      -4: X=0.80743000 Y=0.75000000 Z=0.24638000
      -4: X=0.69257000 Y=0.25000000 Z=0.74638000
      -4: X=0.30743000 Y=0.75000000 Z=0.25362000
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=0.00172000 Y=0.25000000 Z=0.41292000
          MULT= 4          ISPLIT= 8
      -5: X=0.99828000 Y=0.75000000 Z=0.58708000
      -5: X=0.50172000 Y=0.25000000 Z=0.08708000
      -5: X=0.49828000 Y=0.75000000 Z=0.91292000
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=0.33888000 Y=0.07699000 Z=0.45668000
          MULT= 8          ISPLIT= 8
      -6: X=0.66112000 Y=0.92301000 Z=0.54332000
      -6: X=0.83888000 Y=0.07699000 Z=0.04332000
      -6: X=0.16112000 Y=0.92301000 Z=0.95668000
      -6: X=0.16112000 Y=0.57699000 Z=0.95668000
      -6: X=0.83888000 Y=0.42301000 Z=0.04332000
      -6: X=0.66112000 Y=0.57699000 Z=0.54332000
      -6: X=0.33888000 Y=0.42301000 Z=0.45668000
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