B   LATTICE,NONEQUIV.ATOMS   5   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.456405 14.456405 20.673604 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.00000000
Xe         NPT=  781  R0=.000010000 RMT= 1.79        Z:  54.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.21410000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.00000000 Z=0.78590000
I          NPT=  781  R0=.000010000 RMT= 1.79        Z:  53.00000              
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=0.38020000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.61980000
F          NPT=  781  R0=.000100000 RMT= 1.62        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.05960000 Y=0.23430000 Z=0.24110000
          MULT= 8          ISPLIT= 8
      -4: X=0.94040000 Y=0.76570000 Z=0.75890000
      -4: X=0.76570000 Y=0.05960000 Z=0.24110000
      -4: X=0.23430000 Y=0.94040000 Z=0.75890000
      -4: X=0.94040000 Y=0.76570000 Z=0.24110000
      -4: X=0.05960000 Y=0.23430000 Z=0.75890000
      -4: X=0.23430000 Y=0.94040000 Z=0.24110000
      -4: X=0.76570000 Y=0.05960000 Z=0.75890000
F          NPT=  781  R0=.000100000 RMT= 1.62        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25610000 Y=0.09650000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.74390000 Y=0.90350000 Z=0.00000000
      -5: X=0.90350000 Y=0.25610000 Z=0.00000000
      -5: X=0.09650000 Y=0.74390000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT= 1.62        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000