P   LATTICE,NONEQUIV.ATOMS   6   26 Pmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.517795 18.553898 16.048310 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.04958000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.95042000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.50000000 Y=0.17695000 Z=0.65414000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.82305000 Z=0.15414000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.50000000 Y=0.11321000 Z=0.28881000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.88679000 Z=0.78881000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
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=0.68139000 Z=0.23815000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.31861000 Z=0.73815000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.50000000 Y=0.42330000 Z=0.02060000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.57670000 Z=0.52060000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.34050000 Z=0.34390000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.65950000 Z=0.84390000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000