R   LATTICE,NONEQUIV.ATOMS   5  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
 15.525990 15.525990 21.684227 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00039000 Y=0.00039000 Z=0.00039000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.68        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.18091000 Y=0.80684000 Z=0.18091000
          MULT= 3          ISPLIT= 8
      -2: X=0.80684000 Y=0.18091000 Z=0.18091000
      -2: X=0.18091000 Y=0.18091000 Z=0.80684000
O          NPT=  781  R0=.000100000 RMT= 1.85        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.83678000 Y=0.83678000 Z=0.83678000
          MULT= 1          ISPLIT= 4
O          NPT=  781  R0=.000100000 RMT= 1.85        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  -4: X=0.28591000 Y=0.28591000 Z=0.28591000
          MULT= 1          ISPLIT= 4
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  -5: X=0.50139000 Y=0.89713000 Z=0.50139000
          MULT= 3          ISPLIT= 8
      -5: X=0.89713000 Y=0.50139000 Z=0.50139000
      -5: X=0.50139000 Y=0.50139000 Z=0.89713000
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