H   LATTICE,NONEQUIV.ATOMS   5  170 P65                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.435953 13.435953 36.471714 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33300000 Y=0.00000000 Z=0.36200000
          MULT= 6          ISPLIT= 8
      -1: X=0.33300000 Y=0.33300000 Z=0.19533333
      -1: X=0.00000000 Y=0.33300000 Z=0.02866667
      -1: X=0.66700000 Y=0.00000000 Z=0.86200000
      -1: X=0.66700000 Y=0.66700000 Z=0.69533333
      -1: X=0.00000000 Y=0.66700000 Z=0.52866667
In         NPT=  781  R0=.000010000 RMT= 2.34        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33300000 Y=0.00000000 Z=0.02867000
          MULT= 6          ISPLIT= 8
      -2: X=0.33300000 Y=0.33300000 Z=0.86200333
      -2: X=0.00000000 Y=0.33300000 Z=0.69533667
      -2: X=0.66700000 Y=0.00000000 Z=0.52867000
      -2: X=0.66700000 Y=0.66700000 Z=0.36200333
      -2: X=0.00000000 Y=0.66700000 Z=0.19533667
In         NPT=  781  R0=.000010000 RMT= 2.34        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33300000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT= 8
      -3: X=0.33300000 Y=0.33300000 Z=0.33333333
      -3: X=0.00000000 Y=0.33300000 Z=0.16666667
      -3: X=0.66700000 Y=0.00000000 Z=0.00000000
      -3: X=0.66700000 Y=0.66700000 Z=0.83333333
      -3: X=0.00000000 Y=0.66700000 Z=0.66666667
Se         NPT=  781  R0=.000050000 RMT= 2.23        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  -4: X=0.33300000 Y=0.00000000 Z=0.16666667
          MULT= 6          ISPLIT= 8
      -4: X=0.33300000 Y=0.33300000 Z=0.00000000
      -4: X=0.00000000 Y=0.33300000 Z=0.83333334
      -4: X=0.66700000 Y=0.00000000 Z=0.66666667
      -4: X=0.66700000 Y=0.66700000 Z=0.50000000
      -4: X=0.00000000 Y=0.66700000 Z=0.33333334
Se         NPT=  781  R0=.000050000 RMT= 2.23        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  -5: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -5: X=0.66666666 Y=0.33333333 Z=0.83333333
      -5: X=0.33333333 Y=0.66666666 Z=0.66666667
      -5: X=0.66666667 Y=0.33333333 Z=0.50000000
      -5: X=0.33333334 Y=0.66666667 Z=0.33333333
      -5: X=0.66666667 Y=0.33333334 Z=0.16666667
Se         NPT=  781  R0=.000050000 RMT= 2.23        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000