B   LATTICE,NONEQUIV.ATOMS   3  229 Im-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.087136 18.087136 18.087136 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.34250000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -1: X=0.65750000 Y=0.00000000 Z=0.00000000
      -1: X=0.00000000 Y=0.34250000 Z=0.00000000
      -1: X=0.00000000 Y=0.65750000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.34250000
      -1: X=0.00000000 Y=0.00000000 Z=0.65750000
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=0.25000000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT=-2
      -2: X=0.75000000 Y=0.00000000 Z=0.50000000
      -2: X=0.00000000 Y=0.25000000 Z=0.50000000
      -2: X=0.00000000 Y=0.75000000 Z=0.50000000
      -2: X=0.50000000 Y=0.00000000 Z=0.25000000
      -2: X=0.50000000 Y=0.00000000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
ATOM  -3: X=0.16240000 Y=0.16240000 Z=0.16240000
          MULT= 8          ISPLIT= 4
      -3: X=0.83760000 Y=0.83760000 Z=0.83760000
      -3: X=0.83760000 Y=0.16240000 Z=0.16240000
      -3: X=0.16240000 Y=0.83760000 Z=0.83760000
      -3: X=0.83760000 Y=0.83760000 Z=0.16240000
      -3: X=0.16240000 Y=0.16240000 Z=0.83760000
      -3: X=0.16240000 Y=0.83760000 Z=0.16240000
      -3: X=0.83760000 Y=0.16240000 Z=0.83760000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503