P   LATTICE,NONEQUIV.ATOMS   5  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.668604 18.668604 18.668604 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.02640000 Y=0.25260000 Z=0.35560000
          MULT=12          ISPLIT= 8
      -1: X=0.47360000 Y=0.74740000 Z=0.85560000
      -1: X=0.52640000 Y=0.24740000 Z=0.64440000
      -1: X=0.35560000 Y=0.02640000 Z=0.25260000
      -1: X=0.97360000 Y=0.75260000 Z=0.14440000
      -1: X=0.14440000 Y=0.97360000 Z=0.75260000
      -1: X=0.85560000 Y=0.47360000 Z=0.74740000
      -1: X=0.64440000 Y=0.52640000 Z=0.24740000
      -1: X=0.25260000 Y=0.35560000 Z=0.02640000
      -1: X=0.24740000 Y=0.64440000 Z=0.52640000
      -1: X=0.75260000 Y=0.14440000 Z=0.97360000
      -1: X=0.74740000 Y=0.85560000 Z=0.47360000
Se         NPT=  781  R0=.000050000 RMT= 2.37        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=0.56920000 Y=0.56920000 Z=0.56920000
          MULT= 4          ISPLIT= 4
      -2: X=0.93080000 Y=0.43080000 Z=0.06920000
      -2: X=0.06920000 Y=0.93080000 Z=0.43080000
      -2: X=0.43080000 Y=0.06920000 Z=0.93080000
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=0.82200000 Y=0.82200000 Z=0.82200000
          MULT= 4          ISPLIT= 4
      -3: X=0.67800000 Y=0.17800000 Z=0.32200000
      -3: X=0.32200000 Y=0.67800000 Z=0.17800000
      -3: X=0.17800000 Y=0.32200000 Z=0.67800000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.06350000 Y=0.06350000 Z=0.06350000
          MULT= 4          ISPLIT= 4
      -4: X=0.43650000 Y=0.93650000 Z=0.56350000
      -4: X=0.56350000 Y=0.43650000 Z=0.93650000
      -4: X=0.93650000 Y=0.56350000 Z=0.43650000
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=0.28344000 Y=0.28344000 Z=0.28344000
          MULT= 4          ISPLIT= 4
      -5: X=0.21656000 Y=0.71656000 Z=0.78344000
      -5: X=0.78344000 Y=0.21656000 Z=0.71656000
      -5: X=0.71656000 Y=0.78344000 Z=0.21656000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503