B   LATTICE,NONEQUIV.ATOMS   5  139 I4/mmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 18.056333 18.056333 18.020428 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15600000 Y=0.50000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.84400000 Y=0.50000000 Z=0.00000000
      -1: X=0.50000000 Y=0.15600000 Z=0.00000000
      -1: X=0.50000000 Y=0.84400000 Z=0.00000000
Mo         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.15200000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.00000000 Z=0.84800000
Mo         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  42.00000              
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=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.50000000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25370000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.74630000 Y=0.00000000 Z=0.00000000
      -4: X=0.00000000 Y=0.25370000 Z=0.00000000
      -4: X=0.00000000 Y=0.74630000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.16270000 Y=0.16270000 Z=0.33750000
          MULT= 8          ISPLIT= 8
      -5: X=0.83730000 Y=0.83730000 Z=0.66250000
      -5: X=0.83730000 Y=0.16270000 Z=0.33750000
      -5: X=0.16270000 Y=0.83730000 Z=0.66250000
      -5: X=0.83730000 Y=0.83730000 Z=0.33750000
      -5: X=0.16270000 Y=0.16270000 Z=0.66250000
      -5: X=0.16270000 Y=0.83730000 Z=0.33750000
      -5: X=0.83730000 Y=0.16270000 Z=0.66250000
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