R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  5.688076  5.688076 39.544409 90.000000 90.000000120.000000                   
ATOM  -1: X=0.42400000 Y=0.42400000 Z=0.42400000
          MULT= 2          ISPLIT= 4
      -1: X=0.57600000 Y=0.57600000 Z=0.57600000
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  -2: X=0.16800000 Y=0.16800000 Z=0.16800000
          MULT= 2          ISPLIT= 4
      -2: X=0.83200000 Y=0.83200000 Z=0.83200000
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=0.31500000 Y=0.31500000 Z=0.31500000
          MULT= 2          ISPLIT= 4
      -3: X=0.68500000 Y=0.68500000 Z=0.68500000
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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
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