P   LATTICE,NONEQUIV.ATOMS   5  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.298218 18.298218 18.298218 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.03976000 Y=0.25582000 Z=0.34926000
          MULT=12          ISPLIT= 8
      -1: X=0.46024000 Y=0.74418000 Z=0.84926000
      -1: X=0.53976000 Y=0.24418000 Z=0.65074000
      -1: X=0.34926000 Y=0.03976000 Z=0.25582000
      -1: X=0.96024000 Y=0.75582000 Z=0.15074000
      -1: X=0.15074000 Y=0.96024000 Z=0.75582000
      -1: X=0.84926000 Y=0.46024000 Z=0.74418000
      -1: X=0.65074000 Y=0.53976000 Z=0.24418000
      -1: X=0.25582000 Y=0.34926000 Z=0.03976000
      -1: X=0.24418000 Y=0.65074000 Z=0.53976000
      -1: X=0.75582000 Y=0.15074000 Z=0.96024000
      -1: X=0.74418000 Y=0.84926000 Z=0.46024000
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=0.56562000 Y=0.56562000 Z=0.56562000
          MULT= 4          ISPLIT= 4
      -2: X=0.93438000 Y=0.43438000 Z=0.06562000
      -2: X=0.06562000 Y=0.93438000 Z=0.43438000
      -2: X=0.43438000 Y=0.06562000 Z=0.93438000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.82590000 Y=0.82590000 Z=0.82590000
          MULT= 4          ISPLIT= 4
      -3: X=0.67410000 Y=0.17410000 Z=0.32590000
      -3: X=0.32590000 Y=0.67410000 Z=0.17410000
      -3: X=0.17410000 Y=0.32590000 Z=0.67410000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.06266000 Y=0.06266000 Z=0.06266000
          MULT= 4          ISPLIT= 4
      -4: X=0.43734000 Y=0.93734000 Z=0.56266000
      -4: X=0.56266000 Y=0.43734000 Z=0.93734000
      -4: X=0.93734000 Y=0.56266000 Z=0.43734000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.27464000 Y=0.27464000 Z=0.27464000
          MULT= 4          ISPLIT= 4
      -5: X=0.22536000 Y=0.72536000 Z=0.77464000
      -5: X=0.77464000 Y=0.22536000 Z=0.72536000
      -5: X=0.72536000 Y=0.77464000 Z=0.22536000
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