H   LATTICE,NONEQUIV.ATOMS   8  150 P321                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.485301 18.485301 11.901495 90.000000 90.000000120.000000                   
ATOM  -1: X=0.61948000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.00000000 Y=0.61948000 Z=0.00000000
      -1: X=0.38052000 Y=0.38052000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.29363000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.29363000 Z=0.50000000
      -2: X=0.70637000 Y=0.70637000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.17090000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.82910000
S          NPT=  781  R0=.000100000 RMT= 1.31        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.26210000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.73790000
S          NPT=  781  R0=.000100000 RMT= 1.31        Z:  16.00000              
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=0.60141000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.39859000
S          NPT=  781  R0=.000100000 RMT= 1.31        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.15570000 Y=0.12410000 Z=0.23180000
          MULT= 6          ISPLIT= 8
      -6: X=0.87590000 Y=0.03160000 Z=0.23180000
      -6: X=0.12410000 Y=0.15570000 Z=0.76820000
      -6: X=0.96840000 Y=0.84430000 Z=0.23180000
      -6: X=0.84430000 Y=0.96840000 Z=0.76820000
      -6: X=0.03160000 Y=0.87590000 Z=0.76820000
O          NPT=  781  R0=.000100000 RMT= 1.38        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  -7: X=0.20460000 Y=0.51170000 Z=0.20150000
          MULT= 6          ISPLIT= 8
      -7: X=0.48830000 Y=0.69290000 Z=0.20150000
      -7: X=0.51170000 Y=0.20460000 Z=0.79850000
      -7: X=0.30710000 Y=0.79540000 Z=0.20150000
      -7: X=0.79540000 Y=0.30710000 Z=0.79850000
      -7: X=0.69290000 Y=0.48830000 Z=0.79850000
O          NPT=  781  R0=.000100000 RMT= 1.38        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  -8: X=0.62350000 Y=0.17500000 Z=0.34410000
          MULT= 6          ISPLIT= 8
      -8: X=0.82500000 Y=0.44850000 Z=0.34410000
      -8: X=0.17500000 Y=0.62350000 Z=0.65590000
      -8: X=0.55150000 Y=0.37650000 Z=0.34410000
      -8: X=0.37650000 Y=0.55150000 Z=0.65590000
      -8: X=0.44850000 Y=0.82500000 Z=0.65590000
O          NPT=  781  R0=.000100000 RMT= 1.38        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000