CXY LATTICE,NONEQUIV.ATOMS   6   65 Cmmm                                       
MODE OF CALC=RELA unit=bohr                                                    
  5.959818 43.030954  6.238742 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Nb         NPT=  781  R0=.000010000 RMT= 2.49        Z:  41.00000              
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=0.38510000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.61490000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.49        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.19350000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.80650000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 2.49        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.08900000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.91100000 Z=0.50000000
B          NPT=  781  R0=.000100000 RMT= 1.67        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.28100000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.71900000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.67        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.46100000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.53900000 Z=0.50000000
B          NPT=  781  R0=.000100000 RMT= 1.67        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000