R   LATTICE,NONEQUIV.ATOMS   6  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.897597 17.897597 49.578854 90.000000 90.000000120.000000                   
ATOM  -1: 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  -2: X=0.64871000 Y=0.29557000 Z=0.41910000
          MULT= 6          ISPLIT= 8
      -2: X=0.35129000 Y=0.70443000 Z=0.58090000
      -2: X=0.29557000 Y=0.41910000 Z=0.64871000
      -2: X=0.70443000 Y=0.58090000 Z=0.35129000
      -2: X=0.41910000 Y=0.64871000 Z=0.29557000
      -2: X=0.58090000 Y=0.35129000 Z=0.70443000
Nb         NPT=  781  R0=.000010000 RMT= 2.42        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.27705000 Y=0.27705000 Z=0.27705000
          MULT= 2          ISPLIT= 4
      -3: X=0.72295000 Y=0.72295000 Z=0.72295000
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
ATOM  -4: X=0.35665000 Y=0.22967000 Z=0.91207000
          MULT= 6          ISPLIT= 8
      -4: X=0.64335000 Y=0.77033000 Z=0.08793000
      -4: X=0.22967000 Y=0.91207000 Z=0.35665000
      -4: X=0.77033000 Y=0.08793000 Z=0.64335000
      -4: X=0.91207000 Y=0.35665000 Z=0.22967000
      -4: X=0.08793000 Y=0.64335000 Z=0.77033000
Cl         NPT=  781  R0=.000100000 RMT= 2.19        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=0.57979000 Y=0.43403000 Z=0.16485000
          MULT= 6          ISPLIT= 8
      -5: X=0.42021000 Y=0.56597000 Z=0.83515000
      -5: X=0.43403000 Y=0.16485000 Z=0.57979000
      -5: X=0.56597000 Y=0.83515000 Z=0.42021000
      -5: X=0.16485000 Y=0.57979000 Z=0.43403000
      -5: X=0.83515000 Y=0.42021000 Z=0.56597000
Cl         NPT=  781  R0=.000100000 RMT= 2.19        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  -6: X=0.32430000 Y=0.83030000 Z=0.03593000
          MULT= 6          ISPLIT= 8
      -6: X=0.67570000 Y=0.16970000 Z=0.96407000
      -6: X=0.83030000 Y=0.03593000 Z=0.32430000
      -6: X=0.16970000 Y=0.96407000 Z=0.67570000
      -6: X=0.03593000 Y=0.32430000 Z=0.83030000
      -6: X=0.96407000 Y=0.67570000 Z=0.16970000
Cl         NPT=  781  R0=.000100000 RMT= 2.19        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000