H   LATTICE,NONEQUIV.ATOMS   6  147 P-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.420672 18.420672 14.461129 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.46710000 Y=0.37230000 Z=0.30310000
          MULT= 6          ISPLIT= 8
      -2: X=0.53290000 Y=0.62770000 Z=0.69690000
      -2: X=0.62770000 Y=0.09480000 Z=0.30310000
      -2: X=0.37230000 Y=0.90520000 Z=0.69690000
      -2: X=0.90520000 Y=0.53290000 Z=0.30310000
      -2: X=0.09480000 Y=0.46710000 Z=0.69690000
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=0.06050000 Y=0.27390000 Z=0.22090000
          MULT= 6          ISPLIT= 8
      -3: X=0.93950000 Y=0.72610000 Z=0.77910000
      -3: X=0.72610000 Y=0.78660000 Z=0.22090000
      -3: X=0.27390000 Y=0.21340000 Z=0.77910000
      -3: X=0.21340000 Y=0.93950000 Z=0.22090000
      -3: X=0.78660000 Y=0.06050000 Z=0.77910000
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=0.45420000 Y=0.15640000 Z=0.13090000
          MULT= 6          ISPLIT= 8
      -4: X=0.54580000 Y=0.84360000 Z=0.86910000
      -4: X=0.84360000 Y=0.29780000 Z=0.13090000
      -4: X=0.15640000 Y=0.70220000 Z=0.86910000
      -4: X=0.70220000 Y=0.54580000 Z=0.13090000
      -4: X=0.29780000 Y=0.45420000 Z=0.86910000
As         NPT=  781  R0=.000050000 RMT= 2.20        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.32780000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.67220000
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  -6: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
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