H   LATTICE,NONEQUIV.ATOMS   5  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.064897 15.064897 18.645928 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.19180000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.80820000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.66690000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.33310000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -4: X=0.00000000 Y=0.50000000 Z=0.00000000
      -4: X=0.50000000 Y=0.50000000 Z=0.00000000
Br         NPT=  781  R0=.000050000 RMT= 2.42        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.16760000 Y=0.83240000 Z=0.33940000
          MULT= 6          ISPLIT= 8
      -5: X=0.83240000 Y=0.16760000 Z=0.66060000
      -5: X=0.16760000 Y=0.33520000 Z=0.33940000
      -5: X=0.83240000 Y=0.66480000 Z=0.66060000
      -5: X=0.66480000 Y=0.83240000 Z=0.33940000
      -5: X=0.33520000 Y=0.16760000 Z=0.66060000
Br         NPT=  781  R0=.000050000 RMT= 2.42        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000