R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 29.882241 29.882241 16.637144 90.000000 90.000000120.000000                   
ATOM  -1: X=0.69703000 Y=0.80297000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.30297000 Y=0.19703000 Z=0.75000000
      -1: X=0.80297000 Y=0.25000000 Z=0.69703000
      -1: X=0.19703000 Y=0.75000000 Z=0.30297000
      -1: X=0.25000000 Y=0.69703000 Z=0.80297000
      -1: X=0.75000000 Y=0.30297000 Z=0.19703000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.13289000 Y=0.36711000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.86711000 Y=0.63289000 Z=0.75000000
      -2: X=0.36711000 Y=0.25000000 Z=0.13289000
      -2: X=0.63289000 Y=0.75000000 Z=0.86711000
      -2: X=0.25000000 Y=0.13289000 Z=0.36711000
      -2: X=0.75000000 Y=0.86711000 Z=0.63289000
S          NPT=  781  R0=.000100000 RMT= 1.74        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.47438000 Y=0.02562000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.52562000 Y=0.97438000 Z=0.75000000
      -3: X=0.02562000 Y=0.25000000 Z=0.47438000
      -3: X=0.97438000 Y=0.75000000 Z=0.52562000
      -3: X=0.25000000 Y=0.47438000 Z=0.02562000
      -3: X=0.75000000 Y=0.52562000 Z=0.97438000
S          NPT=  781  R0=.000100000 RMT= 1.74        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.36310000 Y=0.13690000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.63690000 Y=0.86310000 Z=0.75000000
      -4: X=0.13690000 Y=0.25000000 Z=0.36310000
      -4: X=0.86310000 Y=0.75000000 Z=0.63690000
      -4: X=0.25000000 Y=0.36310000 Z=0.13690000
      -4: X=0.75000000 Y=0.63690000 Z=0.86310000
B          NPT=  781  R0=.000100000 RMT= 1.57        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000