B   LATTICE,NONEQUIV.ATOMS   4   71 Immm    
MODE OF CALC=RELA unit=bohr
  7.942708 10.648040 42.464792 90.000000 90.000000 90.000000
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.32040000
          MULT= 2          ISPLIT=15
      -1: X=0.50000000 Y=0.00000000 Z=0.67960000
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  -2: X=0.00000000 Y=0.24210000 Z=0.39360000
          MULT= 4          ISPLIT=15
      -2: X=0.00000000 Y=0.75790000 Z=0.60640000
      -2: X=0.00000000 Y=0.24210000 Z=0.60640000
      -2: X=0.00000000 Y=0.75790000 Z=0.39360000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.22730000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.00000000 Z=0.77270000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
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