P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.963521 25.303433 13.530439 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16000000 Y=0.62500000 Z=0.16800000
          MULT= 8          ISPLIT= 8
      -1: X=0.84000000 Y=0.37500000 Z=0.83200000
      -1: X=0.66000000 Y=0.62500000 Z=0.33200000
      -1: X=0.34000000 Y=0.37500000 Z=0.66800000
      -1: X=0.34000000 Y=0.12500000 Z=0.66800000
      -1: X=0.66000000 Y=0.87500000 Z=0.33200000
      -1: X=0.84000000 Y=0.12500000 Z=0.83200000
      -1: X=0.16000000 Y=0.87500000 Z=0.16800000
Nb         NPT=  781  R0=.000010000 RMT= 2.44        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00600000 Y=0.09300000 Z=0.32200000
          MULT= 8          ISPLIT= 8
      -2: X=0.99400000 Y=0.90700000 Z=0.67800000
      -2: X=0.50600000 Y=0.09300000 Z=0.17800000
      -2: X=0.49400000 Y=0.90700000 Z=0.82200000
      -2: X=0.49400000 Y=0.59300000 Z=0.82200000
      -2: X=0.50600000 Y=0.40700000 Z=0.17800000
      -2: X=0.99400000 Y=0.59300000 Z=0.67800000
      -2: X=0.00600000 Y=0.40700000 Z=0.32200000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.16800000 Y=0.25000000 Z=0.00500000
          MULT= 4          ISPLIT= 8
      -3: X=0.83200000 Y=0.75000000 Z=0.99500000
      -3: X=0.66800000 Y=0.25000000 Z=0.49500000
      -3: X=0.33200000 Y=0.75000000 Z=0.50500000
Nb         NPT=  781  R0=.000010000 RMT= 2.44        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.32700000 Y=0.54500000 Z=0.45700000
          MULT= 8          ISPLIT= 8
      -4: X=0.67300000 Y=0.45500000 Z=0.54300000
      -4: X=0.82700000 Y=0.54500000 Z=0.04300000
      -4: X=0.17300000 Y=0.45500000 Z=0.95700000
      -4: X=0.17300000 Y=0.04500000 Z=0.95700000
      -4: X=0.82700000 Y=0.95500000 Z=0.04300000
      -4: X=0.67300000 Y=0.04500000 Z=0.54300000
      -4: X=0.32700000 Y=0.95500000 Z=0.45700000
Ge         NPT=  781  R0=.000050000 RMT= 2.44        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.04000000 Y=0.25000000 Z=0.62600000
          MULT= 4          ISPLIT= 8
      -5: X=0.96000000 Y=0.75000000 Z=0.37400000
      -5: X=0.54000000 Y=0.25000000 Z=0.87400000
      -5: X=0.46000000 Y=0.75000000 Z=0.12600000
Ge         NPT=  781  R0=.000050000 RMT= 2.44        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.30700000 Y=0.25000000 Z=0.36300000
          MULT= 4          ISPLIT= 8
      -6: X=0.69300000 Y=0.75000000 Z=0.63700000
      -6: X=0.80700000 Y=0.25000000 Z=0.13700000
      -6: X=0.19300000 Y=0.75000000 Z=0.86300000
Ge         NPT=  781  R0=.000050000 RMT= 2.44        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000