P   LATTICE,NONEQUIV.ATOMS   4   61 Pbca    
MODE OF CALC=RELA unit=bohr
 10.975340 11.291681 22.143622 90.000000 90.000000 90.000000
ATOM  -1: X=0.00260000 Y=0.44500000 Z=0.16370000
          MULT= 8          ISPLIT=15
      -1: X=0.99740000 Y=0.55500000 Z=0.83630000
      -1: X=0.50260000 Y=0.44500000 Z=0.33630000
      -1: X=0.49740000 Y=0.55500000 Z=0.66370000
      -1: X=0.49740000 Y=0.94500000 Z=0.16370000
      -1: X=0.50260000 Y=0.05500000 Z=0.83630000
      -1: X=0.99740000 Y=0.94500000 Z=0.33630000
      -1: X=0.00260000 Y=0.05500000 Z=0.66370000
Na         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  11.00000
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= 4          ISPLIT=15
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.29470000 Y=0.20800000 Z=0.04500000
          MULT= 8          ISPLIT=15
      -3: X=0.70530000 Y=0.79200000 Z=0.95500000
      -3: X=0.79470000 Y=0.20800000 Z=0.45500000
      -3: X=0.20530000 Y=0.79200000 Z=0.54500000
      -3: X=0.20530000 Y=0.70800000 Z=0.04500000
      -3: X=0.79470000 Y=0.29200000 Z=0.95500000
      -3: X=0.70530000 Y=0.70800000 Z=0.45500000
      -3: X=0.29470000 Y=0.29200000 Z=0.54500000
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
ATOM  -4: X=0.39230000 Y=0.03200000 Z=0.34660000
          MULT= 8          ISPLIT=15
      -4: X=0.60770000 Y=0.96800000 Z=0.65340000
      -4: X=0.89230000 Y=0.03200000 Z=0.15340000
      -4: X=0.10770000 Y=0.96800000 Z=0.84660000
      -4: X=0.10770000 Y=0.53200000 Z=0.34660000
      -4: X=0.89230000 Y=0.46800000 Z=0.65340000
      -4: X=0.60770000 Y=0.53200000 Z=0.15340000
      -4: X=0.39230000 Y=0.46800000 Z=0.84660000
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