CXY LATTICE,NONEQUIV.ATOMS   6   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.729076 10.852697 20.176606 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.29140000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.70860000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT= 1.74        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.30960000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.69040000 Y=0.00000000 Z=0.00000000
      -2: X=0.30960000 Y=0.00000000 Z=0.50000000
      -2: X=0.69040000 Y=0.00000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.09        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.31070000 Y=0.35810000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.68930000 Y=0.64190000 Z=0.75000000
      -3: X=0.68930000 Y=0.35810000 Z=0.25000000
      -3: X=0.31070000 Y=0.64190000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.09        Z:  11.00000              
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=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.09        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.13660000 Y=0.19700000 Z=0.12770000
          MULT= 8          ISPLIT= 8
      -5: X=0.86340000 Y=0.80300000 Z=0.87230000
      -5: X=0.13660000 Y=0.19700000 Z=0.37230000
      -5: X=0.86340000 Y=0.80300000 Z=0.62770000
      -5: X=0.86340000 Y=0.19700000 Z=0.12770000
      -5: X=0.13660000 Y=0.80300000 Z=0.87230000
      -5: X=0.86340000 Y=0.19700000 Z=0.37230000
      -5: X=0.13660000 Y=0.80300000 Z=0.62770000
O          NPT=  781  R0=.000100000 RMT= 1.75        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  -6: X=0.00000000 Y=0.59070000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.40930000 Z=0.75000000
N          NPT=  781  R0=.000100000 RMT= 1.49        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000