R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  5.690155  5.690155 39.561419 90.000000 90.000000120.000000                   
ATOM  -1: X=0.07600000 Y=0.07600000 Z=0.07600000
          MULT= 2          ISPLIT= 4
      -1: X=0.92400000 Y=0.92400000 Z=0.92400000
Mo         NPT=  781  R0=.000010000 RMT= 2.32        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=0.33200000 Y=0.33200000 Z=0.33200000
          MULT= 2          ISPLIT= 4
      -2: X=0.66800000 Y=0.66800000 Z=0.66800000
B          NPT=  781  R0=.000100000 RMT= 1.63        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.18100000 Y=0.18100000 Z=0.18100000
          MULT= 2          ISPLIT= 4
      -3: X=0.81900000 Y=0.81900000 Z=0.81900000
B          NPT=  781  R0=.000100000 RMT= 1.63        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000