B   LATTICE,NONEQUIV.ATOMS   4  139 I4/mmm  
MODE OF CALC=RELA unit=bohr
 16.688171 16.688171  9.786892 90.000000 90.000000 90.000000
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -1: X=0.75000000 Y=0.25000000 Z=0.25000000
      -1: X=0.75000000 Y=0.75000000 Z=0.25000000
      -1: X=0.25000000 Y=0.75000000 Z=0.25000000
Zn         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  30.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.36000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.64000000 Y=0.00000000 Z=0.00000000
      -2: X=0.00000000 Y=0.36000000 Z=0.00000000
      -2: X=0.00000000 Y=0.64000000 Z=0.00000000
Zn         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  30.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.27500000 Y=0.50000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -3: X=0.72500000 Y=0.50000000 Z=0.00000000
      -3: X=0.50000000 Y=0.27500000 Z=0.00000000
      -3: X=0.50000000 Y=0.72500000 Z=0.00000000
Zn         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  30.00000
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= 1          ISPLIT=15
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000