B   LATTICE,NONEQUIV.ATOMS   5  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 18.071451 18.071451 29.974647 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15820000 Y=0.65820000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.84180000 Y=0.34180000 Z=0.00000000
      -1: X=0.34180000 Y=0.15820000 Z=0.00000000
      -1: X=0.65820000 Y=0.84180000 Z=0.00000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
Cd         NPT=  781  R0=.000010000 RMT= 2.47        Z:  48.00000              
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=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.65040000 Y=0.15040000 Z=0.15130000
          MULT= 8          ISPLIT= 8
      -4: X=0.34960000 Y=0.84960000 Z=0.84870000
      -4: X=0.84960000 Y=0.65040000 Z=0.15130000
      -4: X=0.15040000 Y=0.34960000 Z=0.84870000
      -4: X=0.34960000 Y=0.84960000 Z=0.15130000
      -4: X=0.65040000 Y=0.15040000 Z=0.84870000
      -4: X=0.15040000 Y=0.34960000 Z=0.15130000
      -4: X=0.84960000 Y=0.65040000 Z=0.84870000
Br         NPT=  781  R0=.000050000 RMT= 2.35        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -5: X=0.00000000 Y=0.00000000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.35        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000