CXY LATTICE,NONEQUIV.ATOMS   4   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.215611 11.795104 13.230729 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.65369000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.34631000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.19        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=0.15510000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.84490000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.36        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.17210000 Y=0.01590000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.82790000 Y=0.98410000 Z=0.75000000
      -3: X=0.82790000 Y=0.01590000 Z=0.25000000
      -3: X=0.17210000 Y=0.98410000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.43        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.29760000 Z=0.07980000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.70240000 Z=0.92020000
      -4: X=0.00000000 Y=0.29760000 Z=0.42020000
      -4: X=0.00000000 Y=0.70240000 Z=0.57980000
O          NPT=  781  R0=.000100000 RMT= 1.43        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000