CXY LATTICE,NONEQUIV.ATOMS   6   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.453845 13.611697 20.148260 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.10800000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.89200000 Z=0.50000000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.35000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.65000000 Z=0.00000000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.10800000 Z=0.72500000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.89200000 Z=0.22500000
Pd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  46.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.35000000 Z=0.22500000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.65000000 Z=0.72500000
Pd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  46.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.22600000 Y=0.37500000 Z=0.05300000
          MULT= 4          ISPLIT= 8
      -5: X=0.77400000 Y=0.62500000 Z=0.55300000
      -5: X=0.77400000 Y=0.37500000 Z=0.05300000
      -5: X=0.22600000 Y=0.62500000 Z=0.55300000
Pd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.27400000 Y=0.12500000 Z=0.27800000
          MULT= 4          ISPLIT= 8
      -6: X=0.72600000 Y=0.87500000 Z=0.77800000
      -6: X=0.72600000 Y=0.12500000 Z=0.27800000
      -6: X=0.27400000 Y=0.87500000 Z=0.77800000
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