F   LATTICE,NONEQUIV.ATOMS   9   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.928047 37.964598 38.025069 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
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
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
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
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=0.37240000
          MULT= 4          ISPLIT= 8
      -3: X=0.87500000 Y=0.87500000 Z=0.62760000
      -3: X=0.87500000 Y=0.37500000 Z=0.62240000
      -3: X=0.12500000 Y=0.12500000 Z=0.87760000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16380000 Y=0.30420000 Z=0.00030000
          MULT= 8          ISPLIT= 8
      -4: X=0.83620000 Y=0.69580000 Z=0.99970000
      -4: X=0.41380000 Y=0.55420000 Z=0.99970000
      -4: X=0.08620000 Y=0.94580000 Z=0.00030000
      -4: X=0.83620000 Y=0.55420000 Z=0.25030000
      -4: X=0.16380000 Y=0.94580000 Z=0.24970000
      -4: X=0.08620000 Y=0.30420000 Z=0.24970000
      -4: X=0.41380000 Y=0.69580000 Z=0.25030000
Ga         NPT=  781  R0=.000050000 RMT= 2.26        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=0.37570000 Y=0.01170000 Z=0.00090000
          MULT= 8          ISPLIT= 8
      -5: X=0.62430000 Y=0.98830000 Z=0.99910000
      -5: X=0.62570000 Y=0.26170000 Z=0.99910000
      -5: X=0.87430000 Y=0.23830000 Z=0.00090000
      -5: X=0.62430000 Y=0.26170000 Z=0.25090000
      -5: X=0.37570000 Y=0.23830000 Z=0.24910000
      -5: X=0.87430000 Y=0.01170000 Z=0.24910000
      -5: X=0.62570000 Y=0.98830000 Z=0.25090000
Ga         NPT=  781  R0=.000050000 RMT= 2.26        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=0.00520000 Y=0.50260000 Z=0.08510000
          MULT= 8          ISPLIT= 8
      -6: X=0.99480000 Y=0.49740000 Z=0.91490000
      -6: X=0.25520000 Y=0.75260000 Z=0.91490000
      -6: X=0.24480000 Y=0.74740000 Z=0.08510000
      -6: X=0.99480000 Y=0.75260000 Z=0.33510000
      -6: X=0.00520000 Y=0.74740000 Z=0.16490000
      -6: X=0.24480000 Y=0.50260000 Z=0.16490000
      -6: X=0.25520000 Y=0.49740000 Z=0.33510000
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=0.00260000 Y=0.00230000 Z=0.08570000
          MULT= 8          ISPLIT= 8
      -7: X=0.99740000 Y=0.99770000 Z=0.91430000
      -7: X=0.25260000 Y=0.25230000 Z=0.91430000
      -7: X=0.24740000 Y=0.24770000 Z=0.08570000
      -7: X=0.99740000 Y=0.25230000 Z=0.33570000
      -7: X=0.00260000 Y=0.24770000 Z=0.16430000
      -7: X=0.24740000 Y=0.00230000 Z=0.16430000
      -7: X=0.25260000 Y=0.99770000 Z=0.33570000
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=0.25080000 Y=0.09380000 Z=0.00250000
          MULT= 8          ISPLIT= 8
      -8: X=0.74920000 Y=0.90620000 Z=0.99750000
      -8: X=0.50080000 Y=0.34380000 Z=0.99750000
      -8: X=0.99920000 Y=0.15620000 Z=0.00250000
      -8: X=0.74920000 Y=0.34380000 Z=0.25250000
      -8: X=0.25080000 Y=0.15620000 Z=0.24750000
      -8: X=0.99920000 Y=0.09380000 Z=0.24750000
      -8: X=0.50080000 Y=0.90620000 Z=0.25250000
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=0.26630000 Y=0.33160000 Z=0.24920000
          MULT= 8          ISPLIT= 8
      -9: X=0.73370000 Y=0.66840000 Z=0.75080000
      -9: X=0.51630000 Y=0.58160000 Z=0.75080000
      -9: X=0.98370000 Y=0.91840000 Z=0.24920000
      -9: X=0.73370000 Y=0.58160000 Z=0.49920000
      -9: X=0.26630000 Y=0.91840000 Z=0.00080000
      -9: X=0.98370000 Y=0.33160000 Z=0.00080000
      -9: X=0.51630000 Y=0.66840000 Z=0.49920000
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