B   LATTICE,NONEQUIV.ATOMS   5  108 I4cm                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.602918 11.602918 19.978185 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 1.58        Z:  17.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.15440000 Y=0.65440000 Z=0.12390000
          MULT= 4          ISPLIT= 8
      -2: X=0.34560000 Y=0.15440000 Z=0.12390000
      -2: X=0.84560000 Y=0.34560000 Z=0.12390000
      -2: X=0.65440000 Y=0.84560000 Z=0.12390000
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.64060000 Y=0.14060000 Z=0.38450000
          MULT= 4          ISPLIT= 8
      -3: X=0.85940000 Y=0.64060000 Z=0.38450000
      -3: X=0.35940000 Y=0.85940000 Z=0.38450000
      -3: X=0.14060000 Y=0.35940000 Z=0.38450000
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.17120000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.00000000 Z=0.67120000
N          NPT=  781  R0=.000100000 RMT= 0.97        Z:   7.00000              
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=0.27150000
          MULT= 2          ISPLIT=-2
      -5: X=0.00000000 Y=0.00000000 Z=0.77150000
O          NPT=  781  R0=.000100000 RMT= 1.02        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000