CXY LATTICE,NONEQUIV.ATOMS   6   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.148045 32.388016 15.337017 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.11026000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.88974000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.19        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  -2: X=0.00000000 Y=0.31627000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.68373000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 1.95        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.20516000 Y=0.23099000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.79484000 Y=0.76901000 Z=0.75000000
      -3: X=0.79484000 Y=0.23099000 Z=0.25000000
      -3: X=0.20516000 Y=0.76901000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 1.95        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.21489000 Y=0.02863000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.78511000 Y=0.97137000 Z=0.75000000
      -4: X=0.78511000 Y=0.02863000 Z=0.25000000
      -4: X=0.21489000 Y=0.97137000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 1.95        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.13221000 Z=0.52805000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.86779000 Z=0.47195000
      -5: X=0.00000000 Y=0.13221000 Z=0.97195000
      -5: X=0.00000000 Y=0.86779000 Z=0.02805000
Cl         NPT=  781  R0=.000100000 RMT= 1.95        Z:  17.00000              
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=0.38144000 Z=0.03408000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.61856000 Z=0.96592000
      -6: X=0.00000000 Y=0.38144000 Z=0.46592000
      -6: X=0.00000000 Y=0.61856000 Z=0.53408000
Cl         NPT=  781  R0=.000100000 RMT= 1.95        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000