B   LATTICE,NONEQUIV.ATOMS   6   80 I41                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.317115 18.317115 11.310011 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.23790000 Y=0.00760000 Z=0.27990000
          MULT= 4          ISPLIT= 8
      -1: X=0.99240000 Y=0.73790000 Z=0.52990000
      -1: X=0.76210000 Y=0.99240000 Z=0.27990000
      -1: X=0.00760000 Y=0.26210000 Z=0.52990000
Nb         NPT=  781  R0=.000010000 RMT= 1.88        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.24550000 Y=0.50910000 Z=0.23040000
          MULT= 4          ISPLIT= 8
      -2: X=0.49090000 Y=0.74550000 Z=0.48040000
      -2: X=0.75450000 Y=0.49090000 Z=0.23040000
      -2: X=0.50910000 Y=0.25450000 Z=0.48040000
Nb         NPT=  781  R0=.000010000 RMT= 1.88        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.10260000 Y=0.64970000 Z=0.25770000
          MULT= 4          ISPLIT= 8
      -3: X=0.35030000 Y=0.60260000 Z=0.50770000
      -3: X=0.89740000 Y=0.35030000 Z=0.25770000
      -3: X=0.64970000 Y=0.39740000 Z=0.50770000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.61020000 Y=0.13580000 Z=0.24110000
          MULT= 4          ISPLIT= 8
      -4: X=0.86420000 Y=0.11020000 Z=0.49110000
      -4: X=0.38980000 Y=0.86420000 Z=0.24110000
      -4: X=0.13580000 Y=0.88980000 Z=0.49110000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.13910000 Y=0.39140000 Z=0.00640000
          MULT= 4          ISPLIT= 8
      -5: X=0.60860000 Y=0.63910000 Z=0.25640000
      -5: X=0.86090000 Y=0.60860000 Z=0.00640000
      -5: X=0.39140000 Y=0.36090000 Z=0.25640000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.10380000 Y=0.15000000 Z=0.24840000
          MULT= 4          ISPLIT= 8
      -6: X=0.85000000 Y=0.60380000 Z=0.49840000
      -6: X=0.89620000 Y=0.85000000 Z=0.24840000
      -6: X=0.15000000 Y=0.39620000 Z=0.49840000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000