R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.389260 17.389260 20.554360 90.000000 90.000000120.000000                   
ATOM  -1: X=0.28703000 Y=0.09452000 Z=0.94956000
          MULT= 6          ISPLIT= 8
      -1: X=0.71297000 Y=0.90548000 Z=0.05044000
      -1: X=0.09452000 Y=0.94956000 Z=0.28703000
      -1: X=0.90548000 Y=0.05044000 Z=0.71297000
      -1: X=0.94956000 Y=0.28703000 Z=0.09452000
      -1: X=0.05044000 Y=0.71297000 Z=0.90548000
Mo         NPT=  781  R0=.000010000 RMT= 2.45        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=0.11317000 Y=0.36815000 Z=0.76327000
          MULT= 6          ISPLIT= 8
      -2: X=0.88683000 Y=0.63185000 Z=0.23673000
      -2: X=0.36815000 Y=0.76327000 Z=0.11317000
      -2: X=0.63185000 Y=0.23673000 Z=0.88683000
      -2: X=0.76327000 Y=0.11317000 Z=0.36815000
      -2: X=0.23673000 Y=0.88683000 Z=0.63185000
S          NPT=  781  R0=.000100000 RMT= 2.11        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=0.28289000 Y=0.28289000 Z=0.28289000
          MULT= 2          ISPLIT= 4
      -3: X=0.71711000 Y=0.71711000 Z=0.71711000
S          NPT=  781  R0=.000100000 RMT= 2.11        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000