R   LATTICE,NONEQUIV.ATOMS   6  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.680278 17.680278 67.907306 90.000000 90.000000120.000000                   
ATOM  -1: X=0.41664000 Y=0.08336000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.58336000 Y=0.91664000 Z=0.75000000
      -1: X=0.08336000 Y=0.25000000 Z=0.41664000
      -1: X=0.91664000 Y=0.75000000 Z=0.58336000
      -1: X=0.25000000 Y=0.41664000 Z=0.08336000
      -1: X=0.75000000 Y=0.58336000 Z=0.91664000
Mo         NPT=  781  R0=.000010000 RMT= 2.41        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.35502000 Y=0.17780000 Z=0.02872000
          MULT=12          ISPLIT= 8
      -2: X=0.64498000 Y=0.82220000 Z=0.97128000
      -2: X=0.17780000 Y=0.02872000 Z=0.35502000
      -2: X=0.82220000 Y=0.97128000 Z=0.64498000
      -2: X=0.85502000 Y=0.52872000 Z=0.67780000
      -2: X=0.14498000 Y=0.47128000 Z=0.32220000
      -2: X=0.02872000 Y=0.35502000 Z=0.17780000
      -2: X=0.97128000 Y=0.64498000 Z=0.82220000
      -2: X=0.52872000 Y=0.67780000 Z=0.85502000
      -2: X=0.47128000 Y=0.32220000 Z=0.14498000
      -2: X=0.67780000 Y=0.85502000 Z=0.52872000
      -2: X=0.32220000 Y=0.14498000 Z=0.47128000
Mo         NPT=  781  R0=.000010000 RMT= 2.41        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.94610000 Y=0.55390000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.05390000 Y=0.44610000 Z=0.75000000
      -3: X=0.55390000 Y=0.25000000 Z=0.94610000
      -3: X=0.44610000 Y=0.75000000 Z=0.05390000
      -3: X=0.25000000 Y=0.94610000 Z=0.55390000
      -3: X=0.75000000 Y=0.05390000 Z=0.44610000
S          NPT=  781  R0=.000100000 RMT= 2.07        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=0.21264000 Y=0.48414000 Z=0.87904000
          MULT=12          ISPLIT= 8
      -4: X=0.78736000 Y=0.51586000 Z=0.12096000
      -4: X=0.48414000 Y=0.87904000 Z=0.21264000
      -4: X=0.51586000 Y=0.12096000 Z=0.78736000
      -4: X=0.71264000 Y=0.37904000 Z=0.98414000
      -4: X=0.28736000 Y=0.62096000 Z=0.01586000
      -4: X=0.87904000 Y=0.21264000 Z=0.48414000
      -4: X=0.12096000 Y=0.78736000 Z=0.51586000
      -4: X=0.37904000 Y=0.98414000 Z=0.71264000
      -4: X=0.62096000 Y=0.01586000 Z=0.28736000
      -4: X=0.98414000 Y=0.71264000 Z=0.37904000
      -4: X=0.01586000 Y=0.28736000 Z=0.62096000
S          NPT=  781  R0=.000100000 RMT= 2.07        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.13623000 Y=0.13623000 Z=0.13623000
          MULT= 4          ISPLIT= 4
      -5: X=0.86377000 Y=0.86377000 Z=0.86377000
      -5: X=0.63623000 Y=0.63623000 Z=0.63623000
      -5: X=0.36377000 Y=0.36377000 Z=0.36377000
S          NPT=  781  R0=.000100000 RMT= 2.07        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.05081000 Y=0.05081000 Z=0.05081000
          MULT= 4          ISPLIT= 4
      -6: X=0.94919000 Y=0.94919000 Z=0.94919000
      -6: X=0.55081000 Y=0.55081000 Z=0.55081000
      -6: X=0.44919000 Y=0.44919000 Z=0.44919000
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