P   LATTICE,NONEQUIV.ATOMS   4  126 P4/nnc  
MODE OF CALC=RELA unit=bohr
 12.041335 12.041335 18.218850 90.000000 90.000000 90.000000
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.75000000
          MULT= 2          ISPLIT=15
      -1: X=0.75000000 Y=0.75000000 Z=0.25000000
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=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.75000000 Y=0.75000000 Z=0.75000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.75000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -3: X=0.75000000 Y=0.25000000 Z=0.00000000
      -3: X=0.75000000 Y=0.25000000 Z=0.50000000
      -3: X=0.25000000 Y=0.75000000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  42.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.14400000 Y=0.55500000 Z=0.10700000
          MULT=16          ISPLIT=15
      -4: X=0.85600000 Y=0.44500000 Z=0.89300000
      -4: X=0.94500000 Y=0.14400000 Z=0.10700000
      -4: X=0.05500000 Y=0.85600000 Z=0.89300000
      -4: X=0.85600000 Y=0.05500000 Z=0.60700000
      -4: X=0.14400000 Y=0.94500000 Z=0.39300000
      -4: X=0.35600000 Y=0.94500000 Z=0.10700000
      -4: X=0.64400000 Y=0.05500000 Z=0.89300000
      -4: X=0.44500000 Y=0.85600000 Z=0.60700000
      -4: X=0.55500000 Y=0.14400000 Z=0.39300000
      -4: X=0.55500000 Y=0.35600000 Z=0.10700000
      -4: X=0.44500000 Y=0.64400000 Z=0.89300000
      -4: X=0.64400000 Y=0.44500000 Z=0.60700000
      -4: X=0.35600000 Y=0.55500000 Z=0.39300000
      -4: X=0.05500000 Y=0.64400000 Z=0.60700000
      -4: X=0.94500000 Y=0.35600000 Z=0.39300000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000