P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma    
MODE OF CALC=RELA unit=bohr
 25.578955  8.285882 30.115054 90.000000 90.000000 90.000000
ATOM  -1: X=0.23844000 Y=0.25000000 Z=0.66986000
          MULT= 4          ISPLIT=15
      -1: X=0.76156000 Y=0.75000000 Z=0.33014000
      -1: X=0.73844000 Y=0.25000000 Z=0.83014000
      -1: X=0.26156000 Y=0.75000000 Z=0.16986000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  56.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08131000 Y=0.25000000 Z=0.40350000
          MULT= 4          ISPLIT=15
      -2: X=0.91869000 Y=0.75000000 Z=0.59650000
      -2: X=0.58131000 Y=0.25000000 Z=0.09650000
      -2: X=0.41869000 Y=0.75000000 Z=0.90350000
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=0.55812000 Y=0.25000000 Z=0.60972000
          MULT= 4          ISPLIT=15
      -3: X=0.44188000 Y=0.75000000 Z=0.39028000
      -3: X=0.05812000 Y=0.25000000 Z=0.89028000
      -3: X=0.94188000 Y=0.75000000 Z=0.10972000
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  -4: X=0.09048000 Y=0.25000000 Z=0.07529000
          MULT= 4          ISPLIT=15
      -4: X=0.90952000 Y=0.75000000 Z=0.92471000
      -4: X=0.59048000 Y=0.25000000 Z=0.42471000
      -4: X=0.40952000 Y=0.75000000 Z=0.57529000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  52.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.29558000 Y=0.25000000 Z=0.34259000
          MULT= 4          ISPLIT=15
      -5: X=0.70442000 Y=0.75000000 Z=0.65741000
      -5: X=0.79558000 Y=0.25000000 Z=0.15741000
      -5: X=0.20442000 Y=0.75000000 Z=0.84259000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  52.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.37455000 Y=0.25000000 Z=0.02823000
          MULT= 4          ISPLIT=15
      -6: X=0.62545000 Y=0.75000000 Z=0.97177000
      -6: X=0.87455000 Y=0.25000000 Z=0.47177000
      -6: X=0.12545000 Y=0.75000000 Z=0.52823000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  52.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.47228000 Y=0.25000000 Z=0.78407000
          MULT= 4          ISPLIT=15
      -7: X=0.52772000 Y=0.75000000 Z=0.21593000
      -7: X=0.97228000 Y=0.25000000 Z=0.71593000
      -7: X=0.02772000 Y=0.75000000 Z=0.28407000
Te         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  52.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000