CXY LATTICE,NONEQUIV.ATOMS   6   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.810351 14.832271 14.848145 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.25000000 Y=0.25000000 Z=0.50000000
      -1: X=0.75000000 Y=0.25000000 Z=0.00000000
      -1: X=0.75000000 Y=0.25000000 Z=0.50000000
Ta         NPT=  781  R0=.000005000 RMT= 1.99        Z:  73.00000              
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=0.00800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.99200000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.42        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.50700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.49300000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.42        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.22530000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.77470000 Y=0.00000000 Z=0.00000000
      -4: X=0.22530000 Y=0.00000000 Z=0.50000000
      -4: X=0.77470000 Y=0.00000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.27390000 Z=0.02000000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.72610000 Z=0.98000000
      -5: X=0.00000000 Y=0.27390000 Z=0.48000000
      -5: X=0.00000000 Y=0.72610000 Z=0.52000000
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.27370000 Y=0.24780000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.72630000 Y=0.75220000 Z=0.75000000
      -6: X=0.72630000 Y=0.24780000 Z=0.25000000
      -6: X=0.27370000 Y=0.75220000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000