H   LATTICE,NONEQUIV.ATOMS   4  149 P312                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.123598  9.123598  9.597919 90.000000 90.000000120.000000                   
ATOM  -1: X=0.66666667 Y=0.33333333 Z=0.50000000
          MULT= 1          ISPLIT= 4
Ca         NPT=  781  R0=.000050000 RMT= 2.11        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 1          ISPLIT= 4
As         NPT=  781  R0=.000050000 RMT= 1.88        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
As         NPT=  781  R0=.000050000 RMT= 1.88        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.02667000 Y=0.33333333 Z=0.22000000
          MULT= 6          ISPLIT= 8
      -4: X=0.66666667 Y=0.69333667 Z=0.22000000
      -4: X=0.66666667 Y=0.97333000 Z=0.78000000
      -4: X=0.30666333 Y=0.97333000 Z=0.22000000
      -4: X=0.02667000 Y=0.69333667 Z=0.78000000
      -4: X=0.30666333 Y=0.33333333 Z=0.78000000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000