H   LATTICE,NONEQUIV.ATOMS   5  144 P31                                        
MODE OF CALC=RELA unit=bohr                                                    
  8.182514  8.182514 15.854802 90.000000 90.000000120.000000                   
ATOM  -1: X=0.08200000 Y=0.17300000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.82700000 Y=0.90900000 Z=0.33333333
      -1: X=0.09100000 Y=0.91800000 Z=0.66666667
O          NPT=  781  R0=.000100000 RMT= 1.40        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  -2: X=0.52200000 Y=0.32800000 Z=0.21333000
          MULT= 3          ISPLIT= 8
      -2: X=0.67200000 Y=0.19400000 Z=0.54666333
      -2: X=0.80600000 Y=0.47800000 Z=0.87999667
O          NPT=  781  R0=.000100000 RMT= 1.40        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  -3: X=0.24500000 Y=0.49700000 Z=0.42300000
          MULT= 3          ISPLIT= 8
      -3: X=0.50300000 Y=0.74800000 Z=0.75633333
      -3: X=0.25200000 Y=0.75500000 Z=0.08966667
O          NPT=  781  R0=.000100000 RMT= 1.40        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=0.52600000 Y=0.57500000 Z=0.32033000
          MULT= 3          ISPLIT= 8
      -4: X=0.42500000 Y=0.95100000 Z=0.65366333
      -4: X=0.04900000 Y=0.47400000 Z=0.98699667
B          NPT=  781  R0=.000100000 RMT= 1.20        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.32300000 Y=0.10800000 Z=0.08833000
          MULT= 3          ISPLIT= 8
      -5: X=0.89200000 Y=0.21500000 Z=0.42166333
      -5: X=0.78500000 Y=0.67700000 Z=0.75499667
B          NPT=  781  R0=.000100000 RMT= 1.20        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000