R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.135606  7.135606 52.817843 90.000000 90.000000120.000000                   
ATOM  -1: X=0.21700000 Y=0.21700000 Z=0.21700000
          MULT= 2          ISPLIT= 4
      -1: X=0.78300000 Y=0.78300000 Z=0.78300000
Y          NPT=  781  R0=.000010000 RMT= 2.20        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.13300000 Y=0.13300000 Z=0.13300000
          MULT= 2          ISPLIT= 4
      -2: X=0.86700000 Y=0.86700000 Z=0.86700000
O          NPT=  781  R0=.000100000 RMT= 1.99        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  -3: X=0.38900000 Y=0.38900000 Z=0.38900000
          MULT= 2          ISPLIT= 4
      -3: X=0.61100000 Y=0.61100000 Z=0.61100000
Cl         NPT=  781  R0=.000100000 RMT= 2.46        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000