CXZ LATTICE,NONEQUIV.ATOMS   5   15 B2/b    
MODE OF CALC=RELA unit=bohr
 16.612960 17.095218 27.722282 90.000000 90.000000 88.847000
ATOM  -1: X=0.98680000 Y=0.00090000 Z=0.15380000
          MULT= 4          ISPLIT=15
      -1: X=0.01320000 Y=0.99910000 Z=0.84620000
      -1: X=0.01320000 Y=0.49910000 Z=0.15380000
      -1: X=0.98680000 Y=0.50090000 Z=0.84620000
In         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  49.00000
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=0.43930000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.75000000 Z=0.56070000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.51890000 Y=0.05820000 Z=0.11340000
          MULT= 4          ISPLIT=15
      -3: X=0.48110000 Y=0.94180000 Z=0.88660000
      -3: X=0.48110000 Y=0.44180000 Z=0.11340000
      -3: X=0.51890000 Y=0.55820000 Z=0.88660000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   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=0.79620000 Y=0.26830000 Z=0.27650000
          MULT= 4          ISPLIT=15
      -4: X=0.20380000 Y=0.73170000 Z=0.72350000
      -4: X=0.20380000 Y=0.23170000 Z=0.27650000
      -4: X=0.79620000 Y=0.76830000 Z=0.72350000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   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  -5: X=0.80740000 Y=0.26460000 Z=0.00630000
          MULT= 4          ISPLIT=15
      -5: X=0.19260000 Y=0.73540000 Z=0.99370000
      -5: X=0.19260000 Y=0.23540000 Z=0.00630000
      -5: X=0.80740000 Y=0.76460000 Z=0.99370000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000