P   LATTICE,NONEQUIV.ATOMS   8   13 P2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.120000 17.445952 13.275326 90.000000 90.000000120.311000                   
ATOM  -1: X=0.25000000 Y=0.50000000 Z=0.72460000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.50000000 Z=0.27540000
      -1: X=0.75000000 Y=0.00000000 Z=0.72460000
      -1: X=0.25000000 Y=0.00000000 Z=0.27540000
I          NPT=  781  R0=.000010000 RMT= 1.88        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.38221000 Y=0.23731000 Z=0.43140000
          MULT= 4          ISPLIT= 8
      -2: X=0.61779000 Y=0.76269000 Z=0.56860000
      -2: X=0.61779000 Y=0.26269000 Z=0.43140000
      -2: X=0.38221000 Y=0.73731000 Z=0.56860000
Se         NPT=  781  R0=.000050000 RMT= 1.88        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  -3: X=0.39018000 Y=0.33584000 Z=0.74420000
          MULT= 4          ISPLIT= 8
      -3: X=0.60982000 Y=0.66416000 Z=0.25580000
      -3: X=0.60982000 Y=0.16416000 Z=0.74420000
      -3: X=0.39018000 Y=0.83584000 Z=0.25580000
Se         NPT=  781  R0=.000050000 RMT= 1.88        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  -4: X=0.11292000 Y=0.55652000 Z=0.24300000
          MULT= 4          ISPLIT= 8
      -4: X=0.88708000 Y=0.44348000 Z=0.75700000
      -4: X=0.88708000 Y=0.94348000 Z=0.24300000
      -4: X=0.11292000 Y=0.05652000 Z=0.75700000
Se         NPT=  781  R0=.000050000 RMT= 1.88        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  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.50000000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT= 1.84        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.60240000 Y=0.05680000 Z=0.22240000
          MULT= 4          ISPLIT= 8
      -6: X=0.39760000 Y=0.94320000 Z=0.77760000
      -6: X=0.39760000 Y=0.44320000 Z=0.22240000
      -6: X=0.60240000 Y=0.55680000 Z=0.77760000
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.11530000 Y=0.21063000 Z=0.10200000
          MULT= 4          ISPLIT= 8
      -7: X=0.88470000 Y=0.78937000 Z=0.89800000
      -7: X=0.88470000 Y=0.28937000 Z=0.10200000
      -7: X=0.11530000 Y=0.71063000 Z=0.89800000
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.39550000 Y=0.07910000 Z=0.10360000
          MULT= 4          ISPLIT= 8
      -8: X=0.60450000 Y=0.92090000 Z=0.89640000
      -8: X=0.60450000 Y=0.42090000 Z=0.10360000
      -8: X=0.39550000 Y=0.57910000 Z=0.89640000
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000