P   LATTICE,NONEQUIV.ATOMS   5  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.916828 16.916828 16.916828 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.02500000 Y=0.25080000 Z=0.35760000
          MULT=12          ISPLIT= 8
      -1: X=0.47500000 Y=0.74920000 Z=0.85760000
      -1: X=0.52500000 Y=0.24920000 Z=0.64240000
      -1: X=0.35760000 Y=0.02500000 Z=0.25080000
      -1: X=0.97500000 Y=0.75080000 Z=0.14240000
      -1: X=0.14240000 Y=0.97500000 Z=0.75080000
      -1: X=0.85760000 Y=0.47500000 Z=0.74920000
      -1: X=0.64240000 Y=0.52500000 Z=0.24920000
      -1: X=0.25080000 Y=0.35760000 Z=0.02500000
      -1: X=0.24920000 Y=0.64240000 Z=0.52500000
      -1: X=0.75080000 Y=0.14240000 Z=0.97500000
      -1: X=0.74920000 Y=0.85760000 Z=0.47500000
Se         NPT=  781  R0=.000050000 RMT= 2.25        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.56900000 Y=0.56900000 Z=0.56900000
          MULT= 4          ISPLIT= 4
      -2: X=0.93100000 Y=0.43100000 Z=0.06900000
      -2: X=0.06900000 Y=0.93100000 Z=0.43100000
      -2: X=0.43100000 Y=0.06900000 Z=0.93100000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.83100000 Y=0.83100000 Z=0.83100000
          MULT= 4          ISPLIT= 4
      -3: X=0.66900000 Y=0.16900000 Z=0.33100000
      -3: X=0.33100000 Y=0.66900000 Z=0.16900000
      -3: X=0.16900000 Y=0.33100000 Z=0.66900000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.06200000 Y=0.06200000 Z=0.06200000
          MULT= 4          ISPLIT= 4
      -4: X=0.43800000 Y=0.93800000 Z=0.56200000
      -4: X=0.56200000 Y=0.43800000 Z=0.93800000
      -4: X=0.93800000 Y=0.56200000 Z=0.43800000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.27900000 Y=0.27900000 Z=0.27900000
          MULT= 4          ISPLIT= 4
      -5: X=0.22100000 Y=0.72100000 Z=0.77900000
      -5: X=0.77900000 Y=0.22100000 Z=0.72100000
      -5: X=0.72100000 Y=0.77900000 Z=0.22100000
As         NPT=  781  R0=.000050000 RMT= 2.25        Z:  33.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503