CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.078005 17.100132 21.486186 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.03810000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.96190000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.30510000 Z=0.05400000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.69490000 Z=0.94600000
      -2: X=0.00000000 Y=0.30510000 Z=0.44600000
      -2: X=0.00000000 Y=0.69490000 Z=0.55400000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.20090000 Y=0.28470000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.79910000 Y=0.71530000 Z=0.75000000
      -3: X=0.79910000 Y=0.28470000 Z=0.25000000
      -3: X=0.20090000 Y=0.71530000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
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=0.63610000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.36390000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.20690000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.79310000 Y=0.00000000 Z=0.00000000
      -5: X=0.20690000 Y=0.00000000 Z=0.50000000
      -5: X=0.79310000 Y=0.00000000 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