R   LATTICE,NONEQUIV.ATOMS   6  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.024208 18.024208 46.600645 90.000000 90.000000120.000000                   
ATOM  -1: X=0.30799000 Y=0.98944000 Z=0.11657000
          MULT= 6          ISPLIT= 8
      -1: X=0.69201000 Y=0.01056000 Z=0.88343000
      -1: X=0.98944000 Y=0.11657000 Z=0.30799000
      -1: X=0.01056000 Y=0.88343000 Z=0.69201000
      -1: X=0.11657000 Y=0.30799000 Z=0.98944000
      -1: X=0.88343000 Y=0.69201000 Z=0.01056000
Mo         NPT=  781  R0=.000010000 RMT= 2.36        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  -2: X=0.19787000 Y=0.06008000 Z=0.87501000
          MULT= 6          ISPLIT= 8
      -2: X=0.80213000 Y=0.93992000 Z=0.12499000
      -2: X=0.06008000 Y=0.87501000 Z=0.19787000
      -2: X=0.93992000 Y=0.12499000 Z=0.80213000
      -2: X=0.87501000 Y=0.19787000 Z=0.06008000
      -2: X=0.12499000 Y=0.80213000 Z=0.93992000
Mo         NPT=  781  R0=.000010000 RMT= 2.36        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=0.57826000 Y=0.82923000 Z=0.20340000
          MULT= 6          ISPLIT= 8
      -3: X=0.42174000 Y=0.17077000 Z=0.79660000
      -3: X=0.82923000 Y=0.20340000 Z=0.57826000
      -3: X=0.17077000 Y=0.79660000 Z=0.42174000
      -3: X=0.20340000 Y=0.57826000 Z=0.82923000
      -3: X=0.79660000 Y=0.42174000 Z=0.17077000
Se         NPT=  781  R0=.000050000 RMT= 2.36        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.37576000 Y=0.75021000 Z=0.01575000
          MULT= 6          ISPLIT= 8
      -4: X=0.62424000 Y=0.24979000 Z=0.98425000
      -4: X=0.75021000 Y=0.01575000 Z=0.37576000
      -4: X=0.24979000 Y=0.98425000 Z=0.62424000
      -4: X=0.01575000 Y=0.37576000 Z=0.75021000
      -4: X=0.98425000 Y=0.62424000 Z=0.24979000
Se         NPT=  781  R0=.000050000 RMT= 2.36        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.21911000 Y=0.21911000 Z=0.21911000
          MULT= 2          ISPLIT= 4
      -5: X=0.78089000 Y=0.78089000 Z=0.78089000
Se         NPT=  781  R0=.000050000 RMT= 2.36        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.36898000 Y=0.36898000 Z=0.36898000
          MULT= 2          ISPLIT= 4
      -6: X=0.63102000 Y=0.63102000 Z=0.63102000
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