F   LATTICE,NONEQUIV.ATOMS   6  225 Fm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 30.596556 30.596556 30.596556 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14370000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -1: X=0.85630000 Y=0.00000000 Z=0.00000000
      -1: X=0.00000000 Y=0.14370000 Z=0.00000000
      -1: X=0.00000000 Y=0.85630000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.14370000
      -1: X=0.00000000 Y=0.00000000 Z=0.85630000
Zr         NPT=  781  R0=.000010000 RMT= 2.46        Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.16629000 Z=0.16629000
          MULT=12          ISPLIT= 8
      -2: X=0.00000000 Y=0.83371000 Z=0.83371000
      -2: X=0.83371000 Y=0.00000000 Z=0.16629000
      -2: X=0.16629000 Y=0.00000000 Z=0.83371000
      -2: X=0.16629000 Y=0.00000000 Z=0.16629000
      -2: X=0.83371000 Y=0.00000000 Z=0.83371000
      -2: X=0.00000000 Y=0.83371000 Z=0.16629000
      -2: X=0.00000000 Y=0.16629000 Z=0.83371000
      -2: X=0.16629000 Y=0.83371000 Z=0.00000000
      -2: X=0.83371000 Y=0.16629000 Z=0.00000000
      -2: X=0.16629000 Y=0.16629000 Z=0.00000000
      -2: X=0.83371000 Y=0.83371000 Z=0.00000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068
ATOM  -3: X=0.31900000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -3: X=0.68100000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.31900000 Z=0.00000000
      -3: X=0.00000000 Y=0.68100000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.31900000
      -3: X=0.00000000 Y=0.00000000 Z=0.68100000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM   4: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 2
       4: X=0.75000000 Y=0.75000000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.35910000 Y=0.35910000 Z=0.35910000
          MULT= 8          ISPLIT= 4
      -5: X=0.64090000 Y=0.64090000 Z=0.64090000
      -5: X=0.64090000 Y=0.35910000 Z=0.35910000
      -5: X=0.35910000 Y=0.64090000 Z=0.64090000
      -5: X=0.64090000 Y=0.64090000 Z=0.35910000
      -5: X=0.35910000 Y=0.35910000 Z=0.64090000
      -5: X=0.35910000 Y=0.64090000 Z=0.35910000
      -5: X=0.64090000 Y=0.35910000 Z=0.64090000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM   6: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
B          NPT=  781  R0=.000100000 RMT= 1.91        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000