B   LATTICE,NONEQUIV.ATOMS   4  204 Im-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.168789 14.168789 14.168789 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Ca         NPT=  781  R0=.000050000 RMT= 2.46        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT= 2.09        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 4
      -3: X=0.75000000 Y=0.75000000 Z=0.25000000
      -3: X=0.25000000 Y=0.75000000 Z=0.75000000
      -3: X=0.75000000 Y=0.25000000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.94        Z:  22.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.00000000 Y=0.18590000 Z=0.29610000
          MULT=12          ISPLIT= 8
      -4: X=0.00000000 Y=0.81410000 Z=0.70390000
      -4: X=0.00000000 Y=0.81410000 Z=0.29610000
      -4: X=0.00000000 Y=0.18590000 Z=0.70390000
      -4: X=0.29610000 Y=0.00000000 Z=0.18590000
      -4: X=0.70390000 Y=0.00000000 Z=0.81410000
      -4: X=0.70390000 Y=0.00000000 Z=0.18590000
      -4: X=0.29610000 Y=0.00000000 Z=0.81410000
      -4: X=0.18590000 Y=0.29610000 Z=0.00000000
      -4: X=0.81410000 Y=0.70390000 Z=0.00000000
      -4: X=0.18590000 Y=0.70390000 Z=0.00000000
      -4: X=0.81410000 Y=0.29610000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000