CXY LATTICE,NONEQUIV.ATOMS   4   20 C2221                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.476642 13.088243  6.071690 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.67130000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.32870000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 1.91        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=0.14620000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.85380000 Y=0.00000000 Z=0.50000000
C          NPT=  781  R0=.000100000 RMT= 1.15        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.11190000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.88810000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.27        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=0.22640000 Y=0.38750000 Z=0.26760000
          MULT= 4          ISPLIT= 8
      -4: X=0.77360000 Y=0.61250000 Z=0.76760000
      -4: X=0.22640000 Y=0.61250000 Z=0.73240000
      -4: X=0.77360000 Y=0.38750000 Z=0.23240000
O          NPT=  781  R0=.000100000 RMT= 1.27        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000