P   LATTICE,NONEQUIV.ATOMS   3  215 P-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.938070  9.938070  9.938070 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
C          NPT=  781  R0=.000100000 RMT= 1.28        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.15811000 Y=0.15811000 Z=0.15811000
          MULT= 4          ISPLIT= 4
      -2: X=0.15811000 Y=0.84189000 Z=0.84189000
      -2: X=0.84189000 Y=0.84189000 Z=0.15811000
      -2: X=0.84189000 Y=0.15811000 Z=0.84189000
O          NPT=  781  R0=.000100000 RMT= 1.42        Z:   8.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.70885000 Y=0.70885000 Z=0.70885000
          MULT= 4          ISPLIT= 4
      -3: X=0.70885000 Y=0.29115000 Z=0.29115000
      -3: X=0.29115000 Y=0.29115000 Z=0.70885000
      -3: X=0.29115000 Y=0.70885000 Z=0.29115000
K          NPT=  781  R0=.000050000 RMT= 2.41        Z:  19.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503