R   LATTICE,NONEQUIV.ATOMS   3  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
  5.977204  5.977204 34.714269 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Mo         NPT=  781  R0=.000010000 RMT= 2.39        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=0.25160000 Y=0.25160000 Z=0.25160000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 2.05        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  -3: X=0.41510000 Y=0.41510000 Z=0.41510000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 2.05        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000