H   LATTICE,NONEQUIV.ATOMS   5  152 P3121                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.747002 13.747002 35.661022 90.000000 90.000000120.000000                   
ATOM  -1: X=0.07574000 Y=0.25839000 Z=0.22327000
          MULT= 6          ISPLIT= 8
      -1: X=0.74161000 Y=0.81735000 Z=0.55660333
      -1: X=0.25839000 Y=0.07574000 Z=0.77673000
      -1: X=0.18265000 Y=0.92426000 Z=0.88993667
      -1: X=0.92426000 Y=0.18265000 Z=0.11006333
      -1: X=0.81735000 Y=0.74161000 Z=0.44339667
Se         NPT=  781  R0=.000050000 RMT= 2.20        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=0.27689000 Y=0.26490000 Z=0.39571000
          MULT= 6          ISPLIT= 8
      -2: X=0.73510000 Y=0.01199000 Z=0.72904333
      -2: X=0.26490000 Y=0.27689000 Z=0.60429000
      -2: X=0.98801000 Y=0.72311000 Z=0.06237667
      -2: X=0.72311000 Y=0.98801000 Z=0.93762333
      -2: X=0.01199000 Y=0.73510000 Z=0.27095667
Se         NPT=  781  R0=.000050000 RMT= 2.20        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=0.45720000 Y=0.24953000 Z=0.08010000
          MULT= 6          ISPLIT= 8
      -3: X=0.75047000 Y=0.20767000 Z=0.41343333
      -3: X=0.24953000 Y=0.45720000 Z=0.91990000
      -3: X=0.79233000 Y=0.54280000 Z=0.74676667
      -3: X=0.54280000 Y=0.79233000 Z=0.25323333
      -3: X=0.20767000 Y=0.75047000 Z=0.58656667
Se         NPT=  781  R0=.000050000 RMT= 2.20        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=0.55420000 Y=0.26970000 Z=0.25379000
          MULT= 6          ISPLIT= 8
      -4: X=0.73030000 Y=0.28450000 Z=0.58712333
      -4: X=0.26970000 Y=0.55420000 Z=0.74621000
      -4: X=0.71550000 Y=0.44580000 Z=0.92045667
      -4: X=0.44580000 Y=0.71550000 Z=0.07954333
      -4: X=0.28450000 Y=0.73030000 Z=0.41287667
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.12847000 Y=0.05920000 Z=0.05480000
          MULT= 6          ISPLIT= 8
      -5: X=0.94080000 Y=0.06927000 Z=0.38813333
      -5: X=0.05920000 Y=0.12847000 Z=0.94520000
      -5: X=0.93073000 Y=0.87153000 Z=0.72146667
      -5: X=0.87153000 Y=0.93073000 Z=0.27853333
      -5: X=0.06927000 Y=0.94080000 Z=0.61186667
P          NPT=  781  R0=.000100000 RMT= 1.80        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000