P   LATTICE,NONEQUIV.ATOMS   4  128 P4/mnc                                     
MODE OF CALC=RELA unit=bohr                                                    
 17.120919 17.120919 18.432389 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14171000 Y=0.64171000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -1: X=0.85829000 Y=0.35829000 Z=0.75000000
      -1: X=0.35829000 Y=0.14171000 Z=0.25000000
      -1: X=0.64171000 Y=0.85829000 Z=0.75000000
      -1: X=0.35829000 Y=0.14171000 Z=0.75000000
      -1: X=0.64171000 Y=0.85829000 Z=0.25000000
      -1: X=0.85829000 Y=0.35829000 Z=0.25000000
      -1: X=0.14171000 Y=0.64171000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.28952000
          MULT= 4          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.71048000
      -3: X=0.50000000 Y=0.50000000 Z=0.78952000
      -3: X=0.50000000 Y=0.50000000 Z=0.21048000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.14985000 Y=0.30954000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.85015000 Y=0.69046000 Z=0.00000000
      -4: X=0.69046000 Y=0.14985000 Z=0.00000000
      -4: X=0.30954000 Y=0.85015000 Z=0.00000000
      -4: X=0.35015000 Y=0.80954000 Z=0.50000000
      -4: X=0.64985000 Y=0.19046000 Z=0.50000000
      -4: X=0.19046000 Y=0.35015000 Z=0.50000000
      -4: X=0.80954000 Y=0.64985000 Z=0.50000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000