B   LATTICE,NONEQUIV.ATOMS   6   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.209401 18.209401 12.028107 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.47970000 Y=0.29710000 Z=0.25460000
          MULT= 4          ISPLIT= 8
      -1: X=0.29710000 Y=0.52030000 Z=0.74540000
      -1: X=0.52030000 Y=0.70290000 Z=0.25460000
      -1: X=0.70290000 Y=0.47970000 Z=0.74540000
Sb         NPT=  781  R0=.000010000 RMT= 1.88        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  -2: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 1          ISPLIT=-2
K          NPT=  781  R0=.000050000 RMT= 2.45        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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
F          NPT=  781  R0=.000100000 RMT= 1.70        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=0.08600000 Y=0.12200000 Z=0.35300000
          MULT= 4          ISPLIT= 8
      -4: X=0.12200000 Y=0.91400000 Z=0.64700000
      -4: X=0.91400000 Y=0.87800000 Z=0.35300000
      -4: X=0.87800000 Y=0.08600000 Z=0.64700000
F          NPT=  781  R0=.000100000 RMT= 1.70        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=0.35000000 Y=0.07100000 Z=0.41300000
          MULT= 4          ISPLIT= 8
      -5: X=0.07100000 Y=0.65000000 Z=0.58700000
      -5: X=0.65000000 Y=0.92900000 Z=0.41300000
      -5: X=0.92900000 Y=0.35000000 Z=0.58700000
F          NPT=  781  R0=.000100000 RMT= 1.70        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  -6: X=0.26800000 Y=0.09600000 Z=0.02000000
          MULT= 4          ISPLIT= 8
      -6: X=0.09600000 Y=0.73200000 Z=0.98000000
      -6: X=0.73200000 Y=0.90400000 Z=0.02000000
      -6: X=0.90400000 Y=0.26800000 Z=0.98000000
F          NPT=  781  R0=.000100000 RMT= 1.70        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000