P   LATTICE,NONEQUIV.ATOMS   6   85 P4/n                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.928760 21.928760 13.474881 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.08550000 Y=0.60570000 Z=0.25090000
          MULT= 8          ISPLIT= 8
      -1: X=0.91450000 Y=0.39430000 Z=0.74910000
      -1: X=0.89430000 Y=0.08550000 Z=0.25090000
      -1: X=0.10570000 Y=0.91450000 Z=0.74910000
      -1: X=0.41450000 Y=0.89430000 Z=0.25090000
      -1: X=0.58550000 Y=0.10570000 Z=0.74910000
      -1: X=0.60570000 Y=0.41450000 Z=0.25090000
      -1: X=0.39430000 Y=0.58550000 Z=0.74910000
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=0.25000000 Y=0.25000000 Z=0.35290000
          MULT= 2          ISPLIT=-2
      -2: X=0.75000000 Y=0.75000000 Z=0.64710000
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=0.15310000 Y=0.04110000 Z=0.12290000
          MULT= 8          ISPLIT= 8
      -3: X=0.84690000 Y=0.95890000 Z=0.87710000
      -3: X=0.45890000 Y=0.15310000 Z=0.12290000
      -3: X=0.54110000 Y=0.84690000 Z=0.87710000
      -3: X=0.34690000 Y=0.45890000 Z=0.12290000
      -3: X=0.65310000 Y=0.54110000 Z=0.87710000
      -3: X=0.04110000 Y=0.34690000 Z=0.12290000
      -3: X=0.95890000 Y=0.65310000 Z=0.87710000
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  -4: X=0.04200000 Y=0.16110000 Z=0.59960000
          MULT= 8          ISPLIT= 8
      -4: X=0.95800000 Y=0.83890000 Z=0.40040000
      -4: X=0.33890000 Y=0.04200000 Z=0.59960000
      -4: X=0.66110000 Y=0.95800000 Z=0.40040000
      -4: X=0.45800000 Y=0.33890000 Z=0.59960000
      -4: X=0.54200000 Y=0.66110000 Z=0.40040000
      -4: X=0.16110000 Y=0.45800000 Z=0.59960000
      -4: X=0.83890000 Y=0.54200000 Z=0.40040000
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=0.25000000 Y=0.75000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -5: X=0.75000000 Y=0.25000000 Z=0.50000000
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  -6: X=0.25000000 Y=0.75000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -6: X=0.75000000 Y=0.25000000 Z=0.00000000
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