R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  5.705083  5.705083 39.610549 90.000000 90.000000120.000000                   
ATOM  -1: X=0.18170000 Y=0.18170000 Z=0.18170000
          MULT= 2          ISPLIT= 4
      -1: X=0.81830000 Y=0.81830000 Z=0.81830000
B          NPT=  781  R0=.000100000 RMT= 1.64        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  -2: X=0.33230000 Y=0.33230000 Z=0.33230000
          MULT= 2          ISPLIT= 4
      -2: X=0.66770000 Y=0.66770000 Z=0.66770000
B          NPT=  781  R0=.000100000 RMT= 1.64        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=0.07580000 Y=0.07580000 Z=0.07580000
          MULT= 2          ISPLIT= 4
      -3: X=0.92420000 Y=0.92420000 Z=0.92420000
Mo         NPT=  781  R0=.000010000 RMT= 2.35        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000