R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.649881 22.649881 38.494477 90.000000 90.000000120.000000                   
ATOM  -1: X=0.65370000 Y=0.38416000 Z=0.65370000
          MULT= 6          ISPLIT= 8
      -1: X=0.34630000 Y=0.61584000 Z=0.34630000
      -1: X=0.38416000 Y=0.65370000 Z=0.65370000
      -1: X=0.61584000 Y=0.34630000 Z=0.34630000
      -1: X=0.65370000 Y=0.65370000 Z=0.38416000
      -1: X=0.34630000 Y=0.34630000 Z=0.61584000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.98250000 Y=0.29320000 Z=0.98250000
          MULT= 6          ISPLIT= 8
      -2: X=0.01750000 Y=0.70680000 Z=0.01750000
      -2: X=0.29320000 Y=0.98250000 Z=0.98250000
      -2: X=0.70680000 Y=0.01750000 Z=0.01750000
      -2: X=0.98250000 Y=0.98250000 Z=0.29320000
      -2: X=0.01750000 Y=0.01750000 Z=0.70680000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.63051000 Y=0.96305000 Z=0.63051000
          MULT= 6          ISPLIT= 8
      -3: X=0.36949000 Y=0.03695000 Z=0.36949000
      -3: X=0.96305000 Y=0.63051000 Z=0.63051000
      -3: X=0.03695000 Y=0.36949000 Z=0.36949000
      -3: X=0.63051000 Y=0.63051000 Z=0.96305000
      -3: X=0.36949000 Y=0.36949000 Z=0.03695000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.18000000 Y=0.18000000 Z=0.18000000
          MULT= 2          ISPLIT= 4
      -4: X=0.82000000 Y=0.82000000 Z=0.82000000
O          NPT=  781  R0=.000100000 RMT= 2.50000     Z:   8.00000              
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
O          NPT=  781  R0=.000100000 RMT= 2.50000     Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000