H   LATTICE,NONEQUIV.ATOMS   5  190 P-62c                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.865136 18.865136 18.802775 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.34600000 Y=0.41890000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.07290000 Y=0.65400000 Z=0.25000000
      -2: X=0.41890000 Y=0.34600000 Z=0.75000000
      -2: X=0.58110000 Y=0.92710000 Z=0.25000000
      -2: X=0.92710000 Y=0.58110000 Z=0.75000000
      -2: X=0.65400000 Y=0.07290000 Z=0.75000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.45585000 Y=0.17056000 Z=0.09110000
          MULT=12          ISPLIT= 8
      -3: X=0.71471000 Y=0.54415000 Z=0.40890000
      -3: X=0.17056000 Y=0.45585000 Z=0.59110000
      -3: X=0.82944000 Y=0.28529000 Z=0.09110000
      -3: X=0.28529000 Y=0.82944000 Z=0.90890000
      -3: X=0.45585000 Y=0.17056000 Z=0.40890000
      -3: X=0.54415000 Y=0.71471000 Z=0.59110000
      -3: X=0.71471000 Y=0.54415000 Z=0.09110000
      -3: X=0.17056000 Y=0.45585000 Z=0.90890000
      -3: X=0.82944000 Y=0.28529000 Z=0.40890000
      -3: X=0.28529000 Y=0.82944000 Z=0.59110000
      -3: X=0.54415000 Y=0.71471000 Z=0.90890000
Au         NPT=  781  R0=.000005000 RMT= 2.45        Z:  79.00000              
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=0.04100000
          MULT= 4          ISPLIT= 4
      -4: X=0.33333334 Y=0.66666667 Z=0.45900000
      -4: X=0.66666667 Y=0.33333333 Z=0.54100000
      -4: X=0.66666666 Y=0.33333333 Z=0.95900000
S          NPT=  781  R0=.000100000 RMT= 1.91        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=0.26370000 Y=0.03900000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.77530000 Y=0.73630000 Z=0.25000000
      -5: X=0.03900000 Y=0.26370000 Z=0.75000000
      -5: X=0.96100000 Y=0.22470000 Z=0.25000000
      -5: X=0.22470000 Y=0.96100000 Z=0.75000000
      -5: X=0.73630000 Y=0.77530000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.91        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000