P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 21.310442 12.007320  9.904055 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
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=0.27691000 Y=0.25000000 Z=0.00474000
          MULT= 4          ISPLIT=15
      -2: X=0.72309000 Y=0.75000000 Z=0.99526000
      -2: X=0.77691000 Y=0.25000000 Z=0.49526000
      -2: X=0.22309000 Y=0.75000000 Z=0.50474000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.09799000 Y=0.25000000 Z=0.44686000
          MULT= 4          ISPLIT=15
      -3: X=0.90201000 Y=0.75000000 Z=0.55314000
      -3: X=0.59799000 Y=0.25000000 Z=0.05314000
      -3: X=0.40201000 Y=0.75000000 Z=0.94686000
Ge         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  32.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.11250000 Y=0.25000000 Z=0.77270000
          MULT= 4          ISPLIT=15
      -4: X=0.88750000 Y=0.75000000 Z=0.22730000
      -4: X=0.61250000 Y=0.25000000 Z=0.72730000
      -4: X=0.38750000 Y=0.75000000 Z=0.27270000
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  -5: X=0.45410000 Y=0.25000000 Z=0.16960000
          MULT= 4          ISPLIT=15
      -5: X=0.54590000 Y=0.75000000 Z=0.83040000
      -5: X=0.95410000 Y=0.25000000 Z=0.33040000
      -5: X=0.04590000 Y=0.75000000 Z=0.66960000
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  -6: X=0.17520000 Y=0.04100000 Z=0.29220000
          MULT= 8          ISPLIT=15
      -6: X=0.82480000 Y=0.95900000 Z=0.70780000
      -6: X=0.67520000 Y=0.04100000 Z=0.20780000
      -6: X=0.32480000 Y=0.95900000 Z=0.79220000
      -6: X=0.32480000 Y=0.54100000 Z=0.79220000
      -6: X=0.67520000 Y=0.45900000 Z=0.20780000
      -6: X=0.82480000 Y=0.54100000 Z=0.70780000
      -6: X=0.17520000 Y=0.45900000 Z=0.29220000
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