CXY LATTICE,NONEQUIV.ATOMS   3   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.745533  8.717307  7.802679 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.33540000 Y=0.33940000 Z=0.43350000
          MULT= 4          ISPLIT= 8
      -1: X=0.66460000 Y=0.66060000 Z=0.93350000
      -1: X=0.66460000 Y=0.33940000 Z=0.43350000
      -1: X=0.33540000 Y=0.66060000 Z=0.93350000
B          NPT=  781  R0=.000100000 RMT= 1.19        Z:   5.00000              
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=0.24750000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75250000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.39        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  -3: X=0.29110000 Y=0.36980000 Z=0.08020000
          MULT= 4          ISPLIT= 8
      -3: X=0.70890000 Y=0.63020000 Z=0.58020000
      -3: X=0.70890000 Y=0.36980000 Z=0.08020000
      -3: X=0.29110000 Y=0.63020000 Z=0.58020000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000