R   LATTICE,NONEQUIV.ATOMS   9  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.861262  7.861262183.492410 90.000000 90.000000120.000000                   
ATOM  -1: X=0.17640000 Y=0.17640000 Z=0.17640000
          MULT= 2          ISPLIT= 4
      -1: X=0.82360000 Y=0.82360000 Z=0.82360000
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=0.11670000 Y=0.11670000 Z=0.11670000
          MULT= 2          ISPLIT= 4
      -2: X=0.88330000 Y=0.88330000 Z=0.88330000
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  -3: X=0.35390000 Y=0.35390000 Z=0.35390000
          MULT= 2          ISPLIT= 4
      -3: X=0.64610000 Y=0.64610000 Z=0.64610000
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  -4: X=0.41270000 Y=0.41270000 Z=0.41270000
          MULT= 2          ISPLIT= 4
      -4: X=0.58730000 Y=0.58730000 Z=0.58730000
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  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Se         NPT=  781  R0=.000050000 RMT= 2.50000     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  -6: X=0.06180000 Y=0.06180000 Z=0.06180000
          MULT= 2          ISPLIT= 4
      -6: X=0.93820000 Y=0.93820000 Z=0.93820000
Se         NPT=  781  R0=.000050000 RMT= 2.50000     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  -7: X=0.23430000 Y=0.23430000 Z=0.23430000
          MULT= 2          ISPLIT= 4
      -7: X=0.76570000 Y=0.76570000 Z=0.76570000
Se         NPT=  781  R0=.000050000 RMT= 2.50000     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  -8: X=0.29700000 Y=0.29700000 Z=0.29700000
          MULT= 2          ISPLIT= 4
      -8: X=0.70300000 Y=0.70300000 Z=0.70300000
Se         NPT=  781  R0=.000050000 RMT= 2.50000     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  -9: X=0.46760000 Y=0.46760000 Z=0.46760000
          MULT= 2          ISPLIT= 4
      -9: X=0.53240000 Y=0.53240000 Z=0.53240000
Se         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000