CXY LATTICE,NONEQUIV.ATOMS   3   68 Ccca                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.853453 23.810927 10.847973 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.75000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.75000000 Z=0.25000000
Ca         NPT=  781  R0=.000050000 RMT= 2.33        Z:  20.00000              
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=0.08227000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.91773000 Z=0.75000000
      -2: X=0.00000000 Y=0.58227000 Z=0.75000000
      -2: X=0.00000000 Y=0.41773000 Z=0.25000000
Cl         NPT=  781  R0=.000100000 RMT= 1.49        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.16630000 Y=0.14953000 Z=0.08650000
          MULT= 8          ISPLIT= 8
      -3: X=0.83370000 Y=0.85047000 Z=0.91350000
      -3: X=0.16630000 Y=0.64953000 Z=0.91350000
      -3: X=0.83370000 Y=0.35047000 Z=0.08650000
      -3: X=0.83370000 Y=0.64953000 Z=0.58650000
      -3: X=0.16630000 Y=0.35047000 Z=0.41350000
      -3: X=0.83370000 Y=0.14953000 Z=0.41350000
      -3: X=0.16630000 Y=0.85047000 Z=0.58650000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000