F   LATTICE,NONEQUIV.ATOMS   6   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.017534 23.988184 30.902691 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.34654000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -1: X=0.87500000 Y=0.65346000 Z=0.87500000
      -1: X=0.37500000 Y=0.59654000 Z=0.87500000
      -1: X=0.12500000 Y=0.90346000 Z=0.12500000
Mo         NPT=  781  R0=.000010000 RMT= 1.67        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.12500000 Y=0.12500000 Z=0.25469000
          MULT= 4          ISPLIT= 8
      -2: X=0.87500000 Y=0.87500000 Z=0.74531000
      -2: X=0.87500000 Y=0.37500000 Z=0.50469000
      -2: X=0.12500000 Y=0.12500000 Z=0.99531000
As         NPT=  781  R0=.000050000 RMT= 1.63        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  -3: X=0.42339000 Y=0.12500000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -3: X=0.57661000 Y=0.87500000 Z=0.87500000
      -3: X=0.67339000 Y=0.37500000 Z=0.87500000
      -3: X=0.82661000 Y=0.12500000 Z=0.12500000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.19670000 Y=0.03480000 Z=0.04930000
          MULT= 8          ISPLIT= 8
      -4: X=0.80330000 Y=0.96520000 Z=0.95070000
      -4: X=0.44670000 Y=0.28480000 Z=0.95070000
      -4: X=0.05330000 Y=0.21520000 Z=0.04930000
      -4: X=0.80330000 Y=0.28480000 Z=0.29930000
      -4: X=0.19670000 Y=0.21520000 Z=0.20070000
      -4: X=0.05330000 Y=0.03480000 Z=0.20070000
      -4: X=0.44670000 Y=0.96520000 Z=0.29930000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.02940000 Y=0.18800000 Z=0.31970000
          MULT= 8          ISPLIT= 8
      -5: X=0.97060000 Y=0.81200000 Z=0.68030000
      -5: X=0.27940000 Y=0.43800000 Z=0.68030000
      -5: X=0.22060000 Y=0.06200000 Z=0.31970000
      -5: X=0.97060000 Y=0.43800000 Z=0.56970000
      -5: X=0.02940000 Y=0.06200000 Z=0.93030000
      -5: X=0.22060000 Y=0.18800000 Z=0.93030000
      -5: X=0.27940000 Y=0.81200000 Z=0.56970000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.07350000 Y=0.43250000 Z=0.05420000
          MULT= 8          ISPLIT= 8
      -6: X=0.92650000 Y=0.56750000 Z=0.94580000
      -6: X=0.32350000 Y=0.68250000 Z=0.94580000
      -6: X=0.17650000 Y=0.81750000 Z=0.05420000
      -6: X=0.92650000 Y=0.68250000 Z=0.30420000
      -6: X=0.07350000 Y=0.81750000 Z=0.19580000
      -6: X=0.17650000 Y=0.43250000 Z=0.19580000
      -6: X=0.32350000 Y=0.56750000 Z=0.30420000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000