P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 13.052338 25.305323 13.383040 90.000000 90.000000 90.000000
ATOM  -1: X=0.00473000 Y=0.09445000 Z=0.67500000
          MULT= 8          ISPLIT=15
      -1: X=0.99527000 Y=0.90555000 Z=0.32500000
      -1: X=0.50473000 Y=0.09445000 Z=0.82500000
      -1: X=0.49527000 Y=0.90555000 Z=0.17500000
      -1: X=0.49527000 Y=0.59445000 Z=0.17500000
      -1: X=0.50473000 Y=0.40555000 Z=0.82500000
      -1: X=0.99527000 Y=0.59445000 Z=0.32500000
      -1: X=0.00473000 Y=0.40555000 Z=0.67500000
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  -2: X=0.16630000 Y=0.25000000 Z=0.01061000
          MULT= 4          ISPLIT=15
      -2: X=0.83370000 Y=0.75000000 Z=0.98939000
      -2: X=0.66630000 Y=0.25000000 Z=0.48939000
      -2: X=0.33370000 Y=0.75000000 Z=0.51061000
Nb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  41.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.34107000 Y=0.12583000 Z=0.32878000
          MULT= 8          ISPLIT=15
      -3: X=0.65893000 Y=0.87417000 Z=0.67122000
      -3: X=0.84107000 Y=0.12583000 Z=0.17122000
      -3: X=0.15893000 Y=0.87417000 Z=0.82878000
      -3: X=0.15893000 Y=0.62583000 Z=0.82878000
      -3: X=0.84107000 Y=0.37417000 Z=0.17122000
      -3: X=0.65893000 Y=0.62583000 Z=0.67122000
      -3: X=0.34107000 Y=0.37417000 Z=0.32878000
Nb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  41.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.30600000 Y=0.25000000 Z=0.64149000
          MULT= 4          ISPLIT=15
      -4: X=0.69400000 Y=0.75000000 Z=0.35851000
      -4: X=0.80600000 Y=0.25000000 Z=0.85851000
      -4: X=0.19400000 Y=0.75000000 Z=0.14149000
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  -5: X=0.04100000 Y=0.25000000 Z=0.38220000
          MULT= 4          ISPLIT=15
      -5: X=0.95900000 Y=0.75000000 Z=0.61780000
      -5: X=0.54100000 Y=0.25000000 Z=0.11780000
      -5: X=0.45900000 Y=0.75000000 Z=0.88220000
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  -6: X=0.17693000 Y=0.04126000 Z=0.03683000
          MULT= 8          ISPLIT=15
      -6: X=0.82307000 Y=0.95874000 Z=0.96317000
      -6: X=0.67693000 Y=0.04126000 Z=0.46317000
      -6: X=0.32307000 Y=0.95874000 Z=0.53683000
      -6: X=0.32307000 Y=0.54126000 Z=0.53683000
      -6: X=0.67693000 Y=0.45874000 Z=0.46317000
      -6: X=0.82307000 Y=0.54126000 Z=0.96317000
      -6: X=0.17693000 Y=0.45874000 Z=0.03683000
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