CXY LATTICE,NONEQUIV.ATOMS   7   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.032917 19.815101 14.075436 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Y          NPT=  781  R0=.000010000 RMT= 2.13        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.23880000 Y=0.23720000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.76120000 Y=0.76280000 Z=0.75000000
      -2: X=0.76120000 Y=0.23720000 Z=0.25000000
      -2: X=0.23880000 Y=0.76280000 Z=0.75000000
Y          NPT=  781  R0=.000010000 RMT= 2.13        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
Ta         NPT=  781  R0=.000005000 RMT= 2.00        Z:  73.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.28900000 Y=0.36870000 Z=0.03300000
          MULT= 8          ISPLIT= 8
      -4: X=0.71100000 Y=0.63130000 Z=0.96700000
      -4: X=0.28900000 Y=0.36870000 Z=0.46700000
      -4: X=0.71100000 Y=0.63130000 Z=0.53300000
      -4: X=0.71100000 Y=0.36870000 Z=0.03300000
      -4: X=0.28900000 Y=0.63130000 Z=0.96700000
      -4: X=0.71100000 Y=0.36870000 Z=0.46700000
      -4: X=0.28900000 Y=0.63130000 Z=0.53300000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.06370000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.93630000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.62300000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.37700000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.36500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.63500000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000