H   LATTICE,NONEQUIV.ATOMS   4  189 P-62m   
MODE OF CALC=RELA unit=bohr
 12.944624 12.944624  7.237651 90.000000 90.000000120.000000
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.50000000
          MULT= 2          ISPLIT=15
      -1: X=0.66666667 Y=0.33333333 Z=0.50000000
Rb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  37.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.64000000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT=15
      -3: X=0.36000000 Y=0.36000000 Z=0.00000000
      -3: X=0.00000000 Y=0.64000000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.22000000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -4: X=0.78000000 Y=0.78000000 Z=0.50000000
      -4: X=0.00000000 Y=0.22000000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000