CXY LATTICE,NONEQUIV.ATOMS   6   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  6.285796 10.915058 67.795815 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.24150000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.75850000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 2.49        Z:  41.00000              
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=0.09300000 Z=0.54350000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.90700000 Z=0.04350000
S          NPT=  781  R0=.000100000 RMT= 2.14        Z:  16.00000              
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=0.09000000 Z=0.45650000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.91000000 Z=0.95650000
S          NPT=  781  R0=.000100000 RMT= 2.14        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.09190000 Z=0.66640000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.90810000 Z=0.16640000
Nb         NPT=  781  R0=.000010000 RMT= 2.49        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.56900000 Z=0.21030000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.43100000 Z=0.71030000
S          NPT=  781  R0=.000100000 RMT= 2.14        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.57900000 Z=0.12280000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.42100000 Z=0.62280000
S          NPT=  781  R0=.000100000 RMT= 2.14        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000