CXZ LATTICE,NONEQUIV.ATOMS   5    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 24.659036 14.562230  7.609927 90.000000 90.000000 71.850000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00080000
          MULT= 1          ISPLIT= 8
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.85955000 Y=0.33811000 Z=0.51230000
          MULT= 2          ISPLIT= 8
      -2: X=0.14045000 Y=0.66189000 Z=0.51230000
Br         NPT=  781  R0=.000050000 RMT= 2.38        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=0.64732000 Y=0.19441000 Z=0.01050000
          MULT= 2          ISPLIT= 8
      -3: X=0.35268000 Y=0.80559000 Z=0.01050000
Br         NPT=  781  R0=.000050000 RMT= 2.38        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=0.00000000 Y=0.50000000 Z=0.43730000
          MULT= 1          ISPLIT= 8
Nb         NPT=  781  R0=.000010000 RMT= 1.67        Z:  41.00000              
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=0.50000000 Z=0.01700000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000