B   LATTICE,NONEQUIV.ATOMS   4  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 15.760316 15.760316 23.319220 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.16500000 Y=0.66500000 Z=0.15000000
          MULT= 8          ISPLIT= 8
      -2: X=0.83500000 Y=0.33500000 Z=0.85000000
      -2: X=0.33500000 Y=0.16500000 Z=0.15000000
      -2: X=0.66500000 Y=0.83500000 Z=0.85000000
      -2: X=0.83500000 Y=0.33500000 Z=0.15000000
      -2: X=0.16500000 Y=0.66500000 Z=0.85000000
      -2: X=0.66500000 Y=0.83500000 Z=0.15000000
      -2: X=0.33500000 Y=0.16500000 Z=0.85000000
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  -3: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.62500000 Y=0.12500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.37500000 Y=0.87500000 Z=0.00000000
      -4: X=0.87500000 Y=0.62500000 Z=0.00000000
      -4: X=0.12500000 Y=0.37500000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000