R   LATTICE,NONEQUIV.ATOMS   5  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.466069 19.466069 98.959285 90.000000 90.000000120.000000                   
ATOM  -1: X=0.43590000 Y=0.72870000 Z=0.99680000
          MULT=12          ISPLIT= 8
      -1: X=0.56410000 Y=0.27130000 Z=0.00320000
      -1: X=0.72870000 Y=0.99680000 Z=0.43590000
      -1: X=0.27130000 Y=0.00320000 Z=0.56410000
      -1: X=0.93590000 Y=0.49680000 Z=0.22870000
      -1: X=0.06410000 Y=0.50320000 Z=0.77130000
      -1: X=0.99680000 Y=0.43590000 Z=0.72870000
      -1: X=0.00320000 Y=0.56410000 Z=0.27130000
      -1: X=0.49680000 Y=0.22870000 Z=0.93590000
      -1: X=0.50320000 Y=0.77130000 Z=0.06410000
      -1: X=0.22870000 Y=0.93590000 Z=0.49680000
      -1: X=0.77130000 Y=0.06410000 Z=0.50320000
In         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.45250000 Y=0.04750000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.54750000 Y=0.95250000 Z=0.75000000
      -2: X=0.04750000 Y=0.25000000 Z=0.45250000
      -2: X=0.95250000 Y=0.75000000 Z=0.54750000
      -2: X=0.25000000 Y=0.45250000 Z=0.04750000
      -2: X=0.75000000 Y=0.54750000 Z=0.95250000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.20150000 Y=0.20150000 Z=0.20150000
          MULT= 4          ISPLIT= 4
      -3: X=0.79850000 Y=0.79850000 Z=0.79850000
      -3: X=0.70150000 Y=0.70150000 Z=0.70150000
      -3: X=0.29850000 Y=0.29850000 Z=0.29850000
In         NPT=  781  R0=.000010000 RMT= 2.50000     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  -4: X=0.40740000 Y=0.18090000 Z=0.84610000
          MULT=12          ISPLIT= 8
      -4: X=0.59260000 Y=0.81910000 Z=0.15390000
      -4: X=0.18090000 Y=0.84610000 Z=0.40740000
      -4: X=0.81910000 Y=0.15390000 Z=0.59260000
      -4: X=0.90740000 Y=0.34610000 Z=0.68090000
      -4: X=0.09260000 Y=0.65390000 Z=0.31910000
      -4: X=0.84610000 Y=0.40740000 Z=0.18090000
      -4: X=0.15390000 Y=0.59260000 Z=0.81910000
      -4: X=0.34610000 Y=0.68090000 Z=0.90740000
      -4: X=0.65390000 Y=0.31910000 Z=0.09260000
      -4: X=0.68090000 Y=0.90740000 Z=0.34610000
      -4: X=0.31910000 Y=0.09260000 Z=0.65390000
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  -5: X=0.07950000 Y=0.07950000 Z=0.07950000
          MULT= 4          ISPLIT= 4
      -5: X=0.92050000 Y=0.92050000 Z=0.92050000
      -5: X=0.57950000 Y=0.57950000 Z=0.57950000
      -5: X=0.42050000 Y=0.42050000 Z=0.42050000
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