P   LATTICE,NONEQUIV.ATOMS   2  201 Pn-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.847028 10.847028 10.847028 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.32        Z:  20.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -2: X=0.35000000 Y=0.35000000 Z=0.35000000
          MULT= 8          ISPLIT= 4
      -2: X=0.65000000 Y=0.65000000 Z=0.65000000
      -2: X=0.15000000 Y=0.15000000 Z=0.35000000
      -2: X=0.85000000 Y=0.85000000 Z=0.65000000
      -2: X=0.35000000 Y=0.15000000 Z=0.15000000
      -2: X=0.65000000 Y=0.85000000 Z=0.85000000
      -2: X=0.15000000 Y=0.35000000 Z=0.15000000
      -2: X=0.85000000 Y=0.65000000 Z=0.85000000
C          NPT=  781  R0=.000100000 RMT= 1.52        Z:   6.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503