P   LATTICE,NONEQUIV.ATOMS   2  123 P4/mmm  
MODE OF CALC=RELA unit=bohr
  5.085253  5.085253  7.260328 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.30000000
          MULT= 2          ISPLIT=15
      -2: X=0.50000000 Y=0.50000000 Z=0.70000000
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000