F   LATTICE,NONEQUIV.ATOMS   8   43 Fdd2                                       
MODE OF CALC=RELA unit=bohr                                                    
 29.528861 35.844325 19.411267 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.01312000 Y=0.18329000 Z=0.17855000
          MULT= 4          ISPLIT= 8
      -1: X=0.98688000 Y=0.81671000 Z=0.17855000
      -1: X=0.23688000 Y=0.43329000 Z=0.42855000
      -1: X=0.26312000 Y=0.06671000 Z=0.42855000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.26560000 Y=0.14137000 Z=0.02523000
          MULT= 4          ISPLIT= 8
      -2: X=0.73440000 Y=0.85863000 Z=0.02523000
      -2: X=0.98440000 Y=0.39137000 Z=0.27523000
      -2: X=0.51560000 Y=0.10863000 Z=0.27523000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.41194000
          MULT= 2          ISPLIT= 8
      -3: X=0.25000000 Y=0.25000000 Z=0.66194000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.02580000
          MULT= 2          ISPLIT= 8
      -4: X=0.25000000 Y=0.25000000 Z=0.27580000
P          NPT=  781  R0=.000100000 RMT= 2.04        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.11450000 Y=0.02900000 Z=0.14040000
          MULT= 4          ISPLIT= 8
      -5: X=0.88550000 Y=0.97100000 Z=0.14040000
      -5: X=0.13550000 Y=0.27900000 Z=0.39040000
      -5: X=0.36450000 Y=0.22100000 Z=0.39040000
P          NPT=  781  R0=.000100000 RMT= 2.04        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.09920000 Y=0.17640000 Z=0.47160000
          MULT= 4          ISPLIT= 8
      -6: X=0.90080000 Y=0.82360000 Z=0.47160000
      -6: X=0.15080000 Y=0.42640000 Z=0.72160000
      -6: X=0.34920000 Y=0.07360000 Z=0.72160000
P          NPT=  781  R0=.000100000 RMT= 2.04        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.03900000 Y=0.32480000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.96100000 Y=0.67520000 Z=0.00000000
      -7: X=0.21100000 Y=0.57480000 Z=0.25000000
      -7: X=0.28900000 Y=0.92520000 Z=0.25000000
P          NPT=  781  R0=.000100000 RMT= 2.04        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.35610000 Y=0.01050000 Z=0.15260000
          MULT= 4          ISPLIT= 8
      -8: X=0.64390000 Y=0.98950000 Z=0.15260000
      -8: X=0.89390000 Y=0.26050000 Z=0.40260000
      -8: X=0.60610000 Y=0.23950000 Z=0.40260000
P          NPT=  781  R0=.000100000 RMT= 2.04        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000