H   LATTICE,NONEQUIV.ATOMS   4  193 P63/mcm 
MODE OF CALC=RELA unit=bohr
 18.409712 18.409712 12.840689 90.000000 90.000000120.000000
ATOM  -1: X=0.27280000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -1: X=0.72720000 Y=0.00000000 Z=0.75000000
      -1: X=0.27280000 Y=0.27280000 Z=0.75000000
      -1: X=0.72720000 Y=0.72720000 Z=0.25000000
      -1: X=0.00000000 Y=0.27280000 Z=0.25000000
      -1: X=0.00000000 Y=0.72720000 Z=0.75000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.66666667 Y=0.33333333 Z=0.00000000
      -2: X=0.66666666 Y=0.33333333 Z=0.50000000
      -2: X=0.33333334 Y=0.66666667 Z=0.50000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.61710000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -3: X=0.38290000 Y=0.00000000 Z=0.75000000
      -3: X=0.61710000 Y=0.61710000 Z=0.75000000
      -3: X=0.38290000 Y=0.38290000 Z=0.25000000
      -3: X=0.00000000 Y=0.61710000 Z=0.25000000
      -3: X=0.00000000 Y=0.38290000 Z=0.75000000
Bi         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  83.00000
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=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
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