R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.022319 18.022319 21.238630 90.000000 90.000000120.000000                   
ATOM  -1: X=0.27700000 Y=0.08700000 Z=0.95400000
          MULT= 6          ISPLIT= 8
      -1: X=0.72300000 Y=0.91300000 Z=0.04600000
      -1: X=0.08700000 Y=0.95400000 Z=0.27700000
      -1: X=0.91300000 Y=0.04600000 Z=0.72300000
      -1: X=0.95400000 Y=0.27700000 Z=0.08700000
      -1: X=0.04600000 Y=0.72300000 Z=0.91300000
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=0.28600000 Y=0.28600000 Z=0.28600000
          MULT= 2          ISPLIT= 4
      -2: X=0.71400000 Y=0.71400000 Z=0.71400000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12100000 Y=0.37300000 Z=0.75500000
          MULT= 6          ISPLIT= 8
      -3: X=0.87900000 Y=0.62700000 Z=0.24500000
      -3: X=0.37300000 Y=0.75500000 Z=0.12100000
      -3: X=0.62700000 Y=0.24500000 Z=0.87900000
      -3: X=0.75500000 Y=0.12100000 Z=0.37300000
      -3: X=0.24500000 Y=0.87900000 Z=0.62700000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000