CXY LATTICE,NONEQUIV.ATOMS   6   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.800670 22.512307  9.448631 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.33644000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.66356000 Z=0.75000000
      -1: X=0.25000000 Y=0.83644000 Z=0.25000000
      -1: X=0.75000000 Y=0.16356000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.06        Z:  20.00000              
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=0.09129000 Z=0.23017000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.90871000 Z=0.76983000
      -2: X=0.00000000 Y=0.59129000 Z=0.26983000
      -2: X=0.00000000 Y=0.40871000 Z=0.73017000
W          NPT=  781  R0=.000005000 RMT= 1.87        Z:  74.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.15151000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.84849000 Z=0.75000000
      -3: X=0.25000000 Y=0.65151000 Z=0.25000000
      -3: X=0.75000000 Y=0.34849000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.61        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  -4: X=0.00000000 Y=0.21498000 Z=0.00411000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.78502000 Z=0.99589000
      -4: X=0.00000000 Y=0.71498000 Z=0.49589000
      -4: X=0.00000000 Y=0.28502000 Z=0.50411000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.15751000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.84249000 Y=0.00000000 Z=0.00000000
      -5: X=0.15751000 Y=0.50000000 Z=0.50000000
      -5: X=0.84249000 Y=0.50000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.00000000 Y=0.41773000 Z=0.10166000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.58227000 Z=0.89834000
      -6: X=0.00000000 Y=0.91773000 Z=0.39834000
      -6: X=0.00000000 Y=0.08227000 Z=0.60166000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000