B   LATTICE,NONEQUIV.ATOMS   5   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.177481 14.177481 21.151705 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= 1.58        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=0.25140000 Y=0.10110000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.74860000 Y=0.89890000 Z=0.00000000
      -2: X=0.89890000 Y=0.25140000 Z=0.00000000
      -2: X=0.10110000 Y=0.74860000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT= 1.87        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  -3: X=0.00000000 Y=0.00000000 Z=0.37980000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.62020000
O          NPT=  781  R0=.000100000 RMT= 1.66        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  -4: X=0.06510000 Y=0.24470000 Z=0.22780000
          MULT= 8          ISPLIT= 8
      -4: X=0.93490000 Y=0.75530000 Z=0.77220000
      -4: X=0.75530000 Y=0.06510000 Z=0.22780000
      -4: X=0.24470000 Y=0.93490000 Z=0.77220000
      -4: X=0.93490000 Y=0.75530000 Z=0.22780000
      -4: X=0.06510000 Y=0.24470000 Z=0.77220000
      -4: X=0.24470000 Y=0.93490000 Z=0.22780000
      -4: X=0.75530000 Y=0.06510000 Z=0.77220000
F          NPT=  781  R0=.000100000 RMT= 1.87        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=0.00000000 Y=0.00000000 Z=0.22532000
          MULT= 2          ISPLIT=-2
      -5: X=0.00000000 Y=0.00000000 Z=0.77468000
Xe         NPT=  781  R0=.000010000 RMT= 1.58        Z:  54.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000