R   LATTICE,NONEQUIV.ATOMS   6  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.852432 17.852432 49.473216 90.000000 90.000000120.000000                   
ATOM  -1: X=0.64656000 Y=0.29877000 Z=0.41967000
          MULT= 6          ISPLIT= 8
      -1: X=0.35344000 Y=0.70123000 Z=0.58033000
      -1: X=0.29877000 Y=0.41967000 Z=0.64656000
      -1: X=0.70123000 Y=0.58033000 Z=0.35344000
      -1: X=0.41967000 Y=0.64656000 Z=0.29877000
      -1: X=0.58033000 Y=0.35344000 Z=0.70123000
Ta         NPT=  781  R0=.000005000 RMT= 2.48        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.32360000 Y=0.82860000 Z=0.03950000
          MULT= 6          ISPLIT= 8
      -2: X=0.67640000 Y=0.17140000 Z=0.96050000
      -2: X=0.82860000 Y=0.03950000 Z=0.32360000
      -2: X=0.17140000 Y=0.96050000 Z=0.67640000
      -2: X=0.03950000 Y=0.32360000 Z=0.82860000
      -2: X=0.96050000 Y=0.67640000 Z=0.17140000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.57980000 Y=0.43409000 Z=0.16430000
          MULT= 6          ISPLIT= 8
      -3: X=0.42020000 Y=0.56591000 Z=0.83570000
      -3: X=0.43409000 Y=0.16430000 Z=0.57980000
      -3: X=0.56591000 Y=0.83570000 Z=0.42020000
      -3: X=0.16430000 Y=0.57980000 Z=0.43409000
      -3: X=0.83570000 Y=0.42020000 Z=0.56591000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.35740000 Y=0.22840000 Z=0.91250000
          MULT= 6          ISPLIT= 8
      -4: X=0.64260000 Y=0.77160000 Z=0.08750000
      -4: X=0.22840000 Y=0.91250000 Z=0.35740000
      -4: X=0.77160000 Y=0.08750000 Z=0.64260000
      -4: X=0.91250000 Y=0.35740000 Z=0.22840000
      -4: X=0.08750000 Y=0.64260000 Z=0.77160000
Cl         NPT=  781  R0=.000100000 RMT= 2.13        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.27672000 Y=0.27672000 Z=0.27672000
          MULT= 2          ISPLIT= 4
      -6: X=0.72328000 Y=0.72328000 Z=0.72328000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000