Title                                                                          
B   LATTICE,NONEQUIV.ATOMS:  2141_I41/amd                                      
MODE OF CALC=RELA unit=ang                                                     
  8.798568  8.798568 12.802900 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.10710000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.75000000 Z=0.89290000
      -1: X=0.00000000 Y=0.75000000 Z=0.35710000
      -1: X=0.50000000 Y=0.75000000 Z=0.14290000
O          NPT=  781  R0=0.00010000 RMT=    1.2000   Z:  8.0                   
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=0.41570000 Z=0.19350000
          MULT= 8          ISPLIT= 8
      -2: X=0.00000000 Y=0.58430000 Z=0.80650000
      -2: X=0.83430000 Y=0.75000000 Z=0.44350000
      -2: X=0.66570000 Y=0.75000000 Z=0.05650000
      -2: X=0.00000000 Y=0.08430000 Z=0.19350000
      -2: X=0.00000000 Y=0.91570000 Z=0.80650000
      -2: X=0.66570000 Y=0.25000000 Z=0.94350000
      -2: X=0.83430000 Y=0.25000000 Z=0.55650000
H          NPT=  781  R0=0.00010000 RMT=    0.6000   Z:  1.0                   
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
  16      NUMBER OF SYMMETRY OPERATIONS
 1 0 0 0.0000000
 0-1 0 0.0000000
 0 0-1 0.0000000
       1
-1 0 0 0.0000000
 0-1 0 0.0000000
 0 0-1 0.0000000
       2
 1 0 0 0.0000000
 0 1 0 0.0000000
 0 0 1 0.0000000
       3
-1 0 0 0.0000000
 0 1 0 0.0000000
 0 0 1 0.0000000
       4
 0 1 0 0.7500000
 1 0 0 0.2500000
 0 0-1 0.7500000
       5
 0-1 0 0.7500000
-1 0 0 0.7500000
 0 0-1 0.2500000
       6
 1 0 0 0.0000000
 0 1 0 0.5000000
 0 0-1 0.0000000
       7
 1 0 0 0.0000000
 0-1 0 0.5000000
 0 0 1 0.0000000
       8
 0-1 0 0.7500000
 1 0 0 0.2500000
 0 0 1 0.7500000
       9
 0 1 0 0.7500000
-1 0 0 0.2500000
 0 0-1 0.7500000
      10
-1 0 0 0.0000000
 0 1 0 0.5000000
 0 0-1 0.0000000
      11
-1 0 0 0.0000000
 0-1 0 0.5000000
 0 0 1 0.0000000
      12
 0 1 0 0.7500000
 1 0 0 0.7500000
 0 0 1 0.2500000
      13
 0-1 0 0.7500000
-1 0 0 0.2500000
 0 0 1 0.7500000
      14
 0-1 0 0.7500000
 1 0 0 0.7500000
 0 0-1 0.2500000
      15
 0 1 0 0.7500000
-1 0 0 0.7500000
 0 0 1 0.2500000
      16
