H   LATTICE,NONEQUIV.ATOMS   8  150 P321                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.897261 18.897261 11.905275 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.16000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.84000000
S          NPT=  781  R0=.000100000 RMT= 1.38        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  -2: X=0.33333333 Y=0.66666667 Z=0.59000000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.41000000
S          NPT=  781  R0=.000100000 RMT= 1.38        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  -3: X=0.33333333 Y=0.66666667 Z=0.27000000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.73000000
S          NPT=  781  R0=.000100000 RMT= 1.38        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=0.70000000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -4: X=0.00000000 Y=0.70000000 Z=0.50000000
      -4: X=0.30000000 Y=0.30000000 Z=0.50000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.37500000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -5: X=0.00000000 Y=0.37500000 Z=0.00000000
      -5: X=0.62500000 Y=0.62500000 Z=0.00000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.16500000 Y=0.05500000 Z=0.23000000
          MULT= 6          ISPLIT= 8
      -6: X=0.94500000 Y=0.11000000 Z=0.23000000
      -6: X=0.05500000 Y=0.16500000 Z=0.77000000
      -6: X=0.89000000 Y=0.83500000 Z=0.23000000
      -6: X=0.83500000 Y=0.89000000 Z=0.77000000
      -6: X=0.11000000 Y=0.94500000 Z=0.77000000
O          NPT=  781  R0=.000100000 RMT= 1.46        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=0.55500000 Y=0.17000000 Z=0.34000000
          MULT= 6          ISPLIT= 8
      -7: X=0.83000000 Y=0.38500000 Z=0.34000000
      -7: X=0.17000000 Y=0.55500000 Z=0.66000000
      -7: X=0.61500000 Y=0.44500000 Z=0.34000000
      -7: X=0.44500000 Y=0.61500000 Z=0.66000000
      -7: X=0.38500000 Y=0.83000000 Z=0.66000000
O          NPT=  781  R0=.000100000 RMT= 1.46        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=0.29500000 Y=0.50500000 Z=0.20000000
          MULT= 6          ISPLIT= 8
      -8: X=0.49500000 Y=0.79000000 Z=0.20000000
      -8: X=0.50500000 Y=0.29500000 Z=0.80000000
      -8: X=0.21000000 Y=0.70500000 Z=0.20000000
      -8: X=0.70500000 Y=0.21000000 Z=0.80000000
      -8: X=0.79000000 Y=0.49500000 Z=0.80000000
O          NPT=  781  R0=.000100000 RMT= 1.46        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000