B   LATTICE,NONEQUIV.ATOMS   4  142 I41/acd                                    
MODE OF CALC=RELA unit=bohr                                                    
 21.522091 21.522091 41.145007 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11120000 Y=0.12430000 Z=0.31230000
          MULT=16          ISPLIT= 8
      -1: X=0.88880000 Y=0.87570000 Z=0.68770000
      -1: X=0.12570000 Y=0.86120000 Z=0.56230000
      -1: X=0.37430000 Y=0.63880000 Z=0.93770000
      -1: X=0.88880000 Y=0.12430000 Z=0.81230000
      -1: X=0.11120000 Y=0.87570000 Z=0.18770000
      -1: X=0.88880000 Y=0.37570000 Z=0.31230000
      -1: X=0.11120000 Y=0.62430000 Z=0.68770000
      -1: X=0.12570000 Y=0.63880000 Z=0.06230000
      -1: X=0.37430000 Y=0.86120000 Z=0.43770000
      -1: X=0.37430000 Y=0.13880000 Z=0.06230000
      -1: X=0.12570000 Y=0.36120000 Z=0.43770000
      -1: X=0.11120000 Y=0.37570000 Z=0.81230000
      -1: X=0.88880000 Y=0.62430000 Z=0.18770000
      -1: X=0.37430000 Y=0.36120000 Z=0.56230000
      -1: X=0.12570000 Y=0.13880000 Z=0.93770000
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
ATOM  -2: X=0.00000000 Y=0.25000000 Z=0.00430000
          MULT= 8          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.99570000
      -2: X=0.00000000 Y=0.75000000 Z=0.25430000
      -2: X=0.50000000 Y=0.75000000 Z=0.24570000
      -2: X=0.00000000 Y=0.25000000 Z=0.50430000
      -2: X=0.00000000 Y=0.75000000 Z=0.49570000
      -2: X=0.00000000 Y=0.75000000 Z=0.75430000
      -2: X=0.50000000 Y=0.75000000 Z=0.74570000
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  -3: X=0.23660000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -3: X=0.76340000 Y=0.00000000 Z=0.75000000
      -3: X=0.25000000 Y=0.98660000 Z=0.50000000
      -3: X=0.25000000 Y=0.51340000 Z=0.00000000
      -3: X=0.76340000 Y=0.50000000 Z=0.25000000
      -3: X=0.23660000 Y=0.50000000 Z=0.75000000
      -3: X=0.25000000 Y=0.01340000 Z=0.00000000
      -3: X=0.25000000 Y=0.48660000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.20        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.25280000 Y=0.26350000 Z=0.12540000
          MULT=16          ISPLIT= 8
      -4: X=0.74720000 Y=0.73650000 Z=0.87460000
      -4: X=0.98650000 Y=0.00280000 Z=0.37540000
      -4: X=0.51350000 Y=0.49720000 Z=0.12460000
      -4: X=0.74720000 Y=0.26350000 Z=0.62540000
      -4: X=0.25280000 Y=0.73650000 Z=0.37460000
      -4: X=0.74720000 Y=0.23650000 Z=0.12540000
      -4: X=0.25280000 Y=0.76350000 Z=0.87460000
      -4: X=0.98650000 Y=0.49720000 Z=0.87540000
      -4: X=0.51350000 Y=0.00280000 Z=0.62460000
      -4: X=0.51350000 Y=0.99720000 Z=0.87540000
      -4: X=0.98650000 Y=0.50280000 Z=0.62460000
      -4: X=0.25280000 Y=0.23650000 Z=0.62540000
      -4: X=0.74720000 Y=0.76350000 Z=0.37460000
      -4: X=0.51350000 Y=0.50280000 Z=0.37540000
      -4: X=0.98650000 Y=0.99720000 Z=0.12460000
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