CXY LATTICE,NONEQUIV.ATOMS   4   20 C2221                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.491759 13.607918  5.442411 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.69510000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.30490000 Z=0.75000000
Mg         NPT=  781  R0=.000100000 RMT= 1.76        Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.16450000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.83550000 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=0.10700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.89300000 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=0.20930000 Y=0.38010000 Z=0.27480000
          MULT= 4          ISPLIT= 8
      -4: X=0.79070000 Y=0.61990000 Z=0.77480000
      -4: X=0.20930000 Y=0.61990000 Z=0.72520000
      -4: X=0.79070000 Y=0.38010000 Z=0.22520000
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