H   LATTICE,NONEQUIV.ATOMS   4  162 P-31m                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.846789 22.846789 11.073795 90.000000 90.000000120.000000                   
ATOM  -1: X=0.17530000 Y=0.82470000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -1: X=0.82470000 Y=0.17530000 Z=0.00000000
      -1: X=0.17530000 Y=0.35060000 Z=0.00000000
      -1: X=0.82470000 Y=0.64940000 Z=0.00000000
      -1: X=0.64940000 Y=0.82470000 Z=0.00000000
      -1: X=0.35060000 Y=0.17530000 Z=0.00000000
Mo         NPT=  781  R0=.000010000 RMT= 2.17        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000-0.8660254 0.5000000
                     0.0000000-0.5000000-0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.16990000 Y=0.00000000 Z=0.22140000
          MULT= 6          ISPLIT= 8
      -2: X=0.83010000 Y=0.00000000 Z=0.77860000
      -2: X=0.00000000 Y=0.16990000 Z=0.22140000
      -2: X=0.00000000 Y=0.83010000 Z=0.77860000
      -2: X=0.83010000 Y=0.83010000 Z=0.22140000
      -2: X=0.16990000 Y=0.16990000 Z=0.77860000
Cl         NPT=  781  R0=.000100000 RMT= 1.96        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.66280000 Y=0.00000000 Z=0.22580000
          MULT= 6          ISPLIT= 8
      -3: X=0.33720000 Y=0.00000000 Z=0.77420000
      -3: X=0.00000000 Y=0.66280000 Z=0.22580000
      -3: X=0.00000000 Y=0.33720000 Z=0.77420000
      -3: X=0.33720000 Y=0.33720000 Z=0.22580000
      -3: X=0.66280000 Y=0.66280000 Z=0.77420000
Cl         NPT=  781  R0=.000100000 RMT= 1.96        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.17000000 Y=0.48420000 Z=0.24920000
          MULT=12          ISPLIT= 8
      -4: X=0.83000000 Y=0.51580000 Z=0.75080000
      -4: X=0.51580000 Y=0.68580000 Z=0.24920000
      -4: X=0.48420000 Y=0.31420000 Z=0.75080000
      -4: X=0.48420000 Y=0.17000000 Z=0.24920000
      -4: X=0.51580000 Y=0.83000000 Z=0.75080000
      -4: X=0.31420000 Y=0.83000000 Z=0.24920000
      -4: X=0.68580000 Y=0.17000000 Z=0.75080000
      -4: X=0.83000000 Y=0.31420000 Z=0.24920000
      -4: X=0.17000000 Y=0.68580000 Z=0.75080000
      -4: X=0.68580000 Y=0.51580000 Z=0.24920000
      -4: X=0.31420000 Y=0.48420000 Z=0.75080000
Cl         NPT=  781  R0=.000100000 RMT= 1.96        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000