P   LATTICE,NONEQUIV.ATOMS   4  123 P4/mmm                                     
MODE OF CALC=RELA unit=bohr                                                    
  7.882804  7.882804 19.568114 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.50000000 Z=0.15912000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.84088000
      -2: X=0.50000000 Y=0.00000000 Z=0.15912000
      -2: X=0.50000000 Y=0.00000000 Z=0.84088000
Zn         NPT=  781  R0=.000050000 RMT= 2.41        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50000000 Y=0.50000000 Z=0.29233000
          MULT= 2          ISPLIT=-2
      -3: X=0.50000000 Y=0.50000000 Z=0.70767000
As         NPT=  781  R0=.000050000 RMT= 2.29        Z:  33.00000              
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=-2
As         NPT=  781  R0=.000050000 RMT= 2.29        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000