H   LATTICE,NONEQUIV.ATOMS   4  163 P-31c                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.608879  9.608879 19.307899 90.000000 90.000000120.000000                   
ATOM  -1: X=0.66666667 Y=0.33333333 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.33333333 Y=0.66666667 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 1.66        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Sr         NPT=  781  R0=.000010000 RMT= 2.22        Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 1.65        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.03170000 Y=0.38800000 Z=0.14850000
          MULT=12          ISPLIT= 8
      -4: X=0.96830000 Y=0.61200000 Z=0.85150000
      -4: X=0.61200000 Y=0.64370000 Z=0.14850000
      -4: X=0.38800000 Y=0.35630000 Z=0.85150000
      -4: X=0.38800000 Y=0.03170000 Z=0.64850000
      -4: X=0.61200000 Y=0.96830000 Z=0.35150000
      -4: X=0.35630000 Y=0.96830000 Z=0.14850000
      -4: X=0.64370000 Y=0.03170000 Z=0.85150000
      -4: X=0.96830000 Y=0.35630000 Z=0.64850000
      -4: X=0.03170000 Y=0.64370000 Z=0.35150000
      -4: X=0.64370000 Y=0.61200000 Z=0.64850000
      -4: X=0.35630000 Y=0.38800000 Z=0.35150000
F          NPT=  781  R0=.000100000 RMT= 1.74        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000