B   LATTICE,NONEQUIV.ATOMS   4  139 I4/mmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 16.656046 16.656046  9.713192 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.25000000 Z=0.25000000
      -2: X=0.75000000 Y=0.75000000 Z=0.25000000
      -2: X=0.25000000 Y=0.75000000 Z=0.25000000
Zn         NPT=  781  R0=.000050000 RMT= 2.30        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.36100000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.63900000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.36100000 Z=0.00000000
      -3: X=0.00000000 Y=0.63900000 Z=0.00000000
Zn         NPT=  781  R0=.000050000 RMT= 2.30        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.27700000 Y=0.50000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.72300000 Y=0.50000000 Z=0.00000000
      -4: X=0.50000000 Y=0.27700000 Z=0.00000000
      -4: X=0.50000000 Y=0.72300000 Z=0.00000000
Zn         NPT=  781  R0=.000050000 RMT= 2.30        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000