H   LATTICE,NONEQUIV.ATOMS   4  163 P-31c                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.556723  9.556723 17.455400 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= 1.65        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
Pd         NPT=  781  R0=.000010000 RMT= 2.16        Z:  46.00000              
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
Ga         NPT=  781  R0=.000050000 RMT= 1.82        Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.01780000 Y=0.36180000 Z=0.13660000
          MULT=12          ISPLIT= 8
      -4: X=0.98220000 Y=0.63820000 Z=0.86340000
      -4: X=0.63820000 Y=0.65600000 Z=0.13660000
      -4: X=0.36180000 Y=0.34400000 Z=0.86340000
      -4: X=0.36180000 Y=0.01780000 Z=0.63660000
      -4: X=0.63820000 Y=0.98220000 Z=0.36340000
      -4: X=0.34400000 Y=0.98220000 Z=0.13660000
      -4: X=0.65600000 Y=0.01780000 Z=0.86340000
      -4: X=0.98220000 Y=0.34400000 Z=0.63660000
      -4: X=0.01780000 Y=0.65600000 Z=0.36340000
      -4: X=0.65600000 Y=0.63820000 Z=0.63660000
      -4: X=0.34400000 Y=0.36180000 Z=0.36340000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000