R   LATTICE,NONEQUIV.ATOMS   6  146 R3                                         
MODE OF CALC=RELA unit=bohr                                                    
 10.640669 10.640669 27.488899 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= 1.74        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=0.73490000 Y=0.73490000 Z=0.73490000
          MULT= 1          ISPLIT= 4
Na         NPT=  781  R0=.000100000 RMT= 2.07        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.51000000 Y=0.51000000 Z=0.51000000
          MULT= 1          ISPLIT= 4
Na         NPT=  781  R0=.000100000 RMT= 2.07        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.22750000 Y=0.22750000 Z=0.22750000
          MULT= 1          ISPLIT= 4
Na         NPT=  781  R0=.000100000 RMT= 2.07        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.69190000 Y=0.90059000 Z=0.25420000
          MULT= 3          ISPLIT= 8
      -5: X=0.90059000 Y=0.25420000 Z=0.69190000
      -5: X=0.25420000 Y=0.69190000 Z=0.90059000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.35260000 Y=0.13201000 Z=0.82460000
          MULT= 3          ISPLIT= 8
      -6: X=0.13201000 Y=0.82460000 Z=0.35260000
      -6: X=0.82460000 Y=0.35260000 Z=0.13201000
F          NPT=  781  R0=.000100000 RMT= 1.94        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000