CXY LATTICE,NONEQUIV.ATOMS   6   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.848712 14.868176 14.884428 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.25000000 Y=0.25000000 Z=0.50000000
      -1: X=0.75000000 Y=0.25000000 Z=0.00000000
      -1: X=0.75000000 Y=0.25000000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 1.95        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=0.00220000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.99780000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.40        Z:  11.00000              
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=0.50260000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.49740000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.40        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.22300000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.77700000 Y=0.00000000 Z=0.00000000
      -4: X=0.22300000 Y=0.00000000 Z=0.50000000
      -4: X=0.77700000 Y=0.00000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.76        Z:   8.00000              
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=0.27410000 Z=0.02030000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.72590000 Z=0.97970000
      -5: X=0.00000000 Y=0.27410000 Z=0.47970000
      -5: X=0.00000000 Y=0.72590000 Z=0.52030000
O          NPT=  781  R0=.000100000 RMT= 1.76        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.27100000 Y=0.24890000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.72900000 Y=0.75110000 Z=0.75000000
      -6: X=0.72900000 Y=0.24890000 Z=0.25000000
      -6: X=0.27100000 Y=0.75110000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.76        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000