B   LATTICE,NONEQUIV.ATOMS   5  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 18.202787 18.202787 28.612343 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.66220000 Y=0.16220000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.33780000 Y=0.83780000 Z=0.00000000
      -1: X=0.83780000 Y=0.66220000 Z=0.00000000
      -1: X=0.16220000 Y=0.33780000 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=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -2: 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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.20        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.14210000 Y=0.64210000 Z=0.15620000
          MULT= 8          ISPLIT= 8
      -4: X=0.85790000 Y=0.35790000 Z=0.84380000
      -4: X=0.35790000 Y=0.14210000 Z=0.15620000
      -4: X=0.64210000 Y=0.85790000 Z=0.84380000
      -4: X=0.85790000 Y=0.35790000 Z=0.15620000
      -4: X=0.14210000 Y=0.64210000 Z=0.84380000
      -4: X=0.64210000 Y=0.85790000 Z=0.15620000
      -4: X=0.35790000 Y=0.14210000 Z=0.84380000
Br         NPT=  781  R0=.000050000 RMT= 2.20        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=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -5: X=0.00000000 Y=0.50000000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.31        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000