B   LATTICE,NONEQUIV.ATOMS   5   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.209401 18.209401 12.028107 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.29800000 Y=0.01940000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.70200000 Y=0.98060000 Z=0.00000000
      -2: X=0.98060000 Y=0.29800000 Z=0.00000000
      -2: X=0.01940000 Y=0.70200000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT= 1.92        Z:  51.00000              
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=0.00000000
          MULT= 1          ISPLIT=-2
F          NPT=  781  R0=.000100000 RMT= 1.74        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=0.15300000 Y=0.40300000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.84700000 Y=0.59700000 Z=0.00000000
      -4: X=0.59700000 Y=0.15300000 Z=0.00000000
      -4: X=0.40300000 Y=0.84700000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT= 1.74        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=0.09700000 Y=0.20800000 Z=0.23600000
          MULT= 8          ISPLIT= 8
      -5: X=0.90300000 Y=0.79200000 Z=0.76400000
      -5: X=0.79200000 Y=0.09700000 Z=0.23600000
      -5: X=0.20800000 Y=0.90300000 Z=0.76400000
      -5: X=0.90300000 Y=0.79200000 Z=0.23600000
      -5: X=0.09700000 Y=0.20800000 Z=0.76400000
      -5: X=0.20800000 Y=0.90300000 Z=0.23600000
      -5: X=0.79200000 Y=0.09700000 Z=0.76400000
F          NPT=  781  R0=.000100000 RMT= 1.74        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000