CXY LATTICE,NONEQUIV.ATOMS   3   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  5.980794 21.089155  9.397986 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.09314000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.90686000 Z=0.50000000
W          NPT=  781  R0=.000005000 RMT= 2.50000     Z:  74.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.70200000 Z=0.30030000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.29800000 Z=0.80030000
P          NPT=  781  R0=.000100000 RMT= 2.02        Z:  15.00000              
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=0.42990000 Z=0.11670000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.57010000 Z=0.61670000
P          NPT=  781  R0=.000100000 RMT= 2.02        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000