F   LATTICE,NONEQUIV.ATOMS   9   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.105681 38.831982 39.555747 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.62500000
          MULT= 2          ISPLIT= 8
      -1: X=0.87500000 Y=0.87500000 Z=0.37500000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 8
      -2: X=0.87500000 Y=0.87500000 Z=0.87500000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12500000 Y=0.12500000 Z=0.37260000
          MULT= 4          ISPLIT= 8
      -3: X=0.87500000 Y=0.87500000 Z=0.62740000
      -3: X=0.87500000 Y=0.37500000 Z=0.62260000
      -3: X=0.12500000 Y=0.12500000 Z=0.87740000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16400000 Y=0.30380000 Z=0.00050000
          MULT= 8          ISPLIT= 8
      -4: X=0.83600000 Y=0.69620000 Z=0.99950000
      -4: X=0.41400000 Y=0.55380000 Z=0.99950000
      -4: X=0.08600000 Y=0.94620000 Z=0.00050000
      -4: X=0.83600000 Y=0.55380000 Z=0.25050000
      -4: X=0.16400000 Y=0.94620000 Z=0.24950000
      -4: X=0.08600000 Y=0.30380000 Z=0.24950000
      -4: X=0.41400000 Y=0.69620000 Z=0.25050000
Ga         NPT=  781  R0=.000050000 RMT= 2.27        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.37700000 Y=0.01260000 Z=0.00050000
          MULT= 8          ISPLIT= 8
      -5: X=0.62300000 Y=0.98740000 Z=0.99950000
      -5: X=0.62700000 Y=0.26260000 Z=0.99950000
      -5: X=0.87300000 Y=0.23740000 Z=0.00050000
      -5: X=0.62300000 Y=0.26260000 Z=0.25050000
      -5: X=0.37700000 Y=0.23740000 Z=0.24950000
      -5: X=0.87300000 Y=0.01260000 Z=0.24950000
      -5: X=0.62700000 Y=0.98740000 Z=0.25050000
Ga         NPT=  781  R0=.000050000 RMT= 2.27        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.49800000 Y=0.00170000 Z=0.08200000
          MULT= 8          ISPLIT= 8
      -6: X=0.50200000 Y=0.99830000 Z=0.91800000
      -6: X=0.74800000 Y=0.25170000 Z=0.91800000
      -6: X=0.75200000 Y=0.24830000 Z=0.08200000
      -6: X=0.50200000 Y=0.25170000 Z=0.33200000
      -6: X=0.49800000 Y=0.24830000 Z=0.16800000
      -6: X=0.75200000 Y=0.00170000 Z=0.16800000
      -6: X=0.74800000 Y=0.99830000 Z=0.33200000
S          NPT=  781  R0=.000100000 RMT= 1.95        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  -7: X=0.25390000 Y=0.00200000 Z=0.16770000
          MULT= 8          ISPLIT= 8
      -7: X=0.74610000 Y=0.99800000 Z=0.83230000
      -7: X=0.50390000 Y=0.25200000 Z=0.83230000
      -7: X=0.99610000 Y=0.24800000 Z=0.16770000
      -7: X=0.74610000 Y=0.25200000 Z=0.41770000
      -7: X=0.25390000 Y=0.24800000 Z=0.08230000
      -7: X=0.99610000 Y=0.00200000 Z=0.08230000
      -7: X=0.50390000 Y=0.99800000 Z=0.41770000
S          NPT=  781  R0=.000100000 RMT= 1.95        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  -8: X=0.25620000 Y=0.09490000 Z=0.00050000
          MULT= 8          ISPLIT= 8
      -8: X=0.74380000 Y=0.90510000 Z=0.99950000
      -8: X=0.50620000 Y=0.34490000 Z=0.99950000
      -8: X=0.99380000 Y=0.15510000 Z=0.00050000
      -8: X=0.74380000 Y=0.34490000 Z=0.25050000
      -8: X=0.25620000 Y=0.15510000 Z=0.24950000
      -8: X=0.99380000 Y=0.09490000 Z=0.24950000
      -8: X=0.50620000 Y=0.90510000 Z=0.25050000
S          NPT=  781  R0=.000100000 RMT= 1.95        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  -9: X=0.26510000 Y=0.32780000 Z=0.24790000
          MULT= 8          ISPLIT= 8
      -9: X=0.73490000 Y=0.67220000 Z=0.75210000
      -9: X=0.51510000 Y=0.57780000 Z=0.75210000
      -9: X=0.98490000 Y=0.92220000 Z=0.24790000
      -9: X=0.73490000 Y=0.57780000 Z=0.49790000
      -9: X=0.26510000 Y=0.92220000 Z=0.00210000
      -9: X=0.98490000 Y=0.32780000 Z=0.00210000
      -9: X=0.51510000 Y=0.67220000 Z=0.49790000
S          NPT=  781  R0=.000100000 RMT= 1.95        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000