P   LATTICE,NONEQUIV.ATOMS   3  215 P-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
  6.841753  6.841753  6.841753 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
B          NPT=  781  R0=.000100000 RMT= 1.46        Z:   5.00000              
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=-2
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
C          NPT=  781  R0=.000100000 RMT= 1.46        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25480000 Y=0.25480000 Z=0.25480000
          MULT= 4          ISPLIT= 4
      -3: X=0.25480000 Y=0.74520000 Z=0.74520000
      -3: X=0.74520000 Y=0.74520000 Z=0.25480000
      -3: X=0.74520000 Y=0.25480000 Z=0.74520000
C          NPT=  781  R0=.000100000 RMT= 1.46        Z:   6.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503