P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 21.692166 15.512573 13.959596 90.000000 90.000000 90.000000
ATOM  -1: X=0.32907000 Y=0.50185000 Z=0.44048000
          MULT= 8          ISPLIT=15
      -1: X=0.67093000 Y=0.49815000 Z=0.55952000
      -1: X=0.82907000 Y=0.50185000 Z=0.05952000
      -1: X=0.17093000 Y=0.49815000 Z=0.94048000
      -1: X=0.17093000 Y=0.00185000 Z=0.94048000
      -1: X=0.82907000 Y=0.99815000 Z=0.05952000
      -1: X=0.67093000 Y=0.00185000 Z=0.55952000
      -1: X=0.32907000 Y=0.99815000 Z=0.44048000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00991000 Y=0.25000000 Z=0.42817000
          MULT= 4          ISPLIT=15
      -2: X=0.99009000 Y=0.75000000 Z=0.57183000
      -2: X=0.50991000 Y=0.25000000 Z=0.07183000
      -2: X=0.49009000 Y=0.75000000 Z=0.92817000
Zr         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  40.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.07262000 Y=0.53476000 Z=0.32214000
          MULT= 8          ISPLIT=15
      -3: X=0.92738000 Y=0.46524000 Z=0.67786000
      -3: X=0.57262000 Y=0.53476000 Z=0.17786000
      -3: X=0.42738000 Y=0.46524000 Z=0.82214000
      -3: X=0.42738000 Y=0.03476000 Z=0.82214000
      -3: X=0.57262000 Y=0.96524000 Z=0.17786000
      -3: X=0.92738000 Y=0.03476000 Z=0.67786000
      -3: X=0.07262000 Y=0.96524000 Z=0.32214000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.29195000 Y=0.25000000 Z=0.15860000
          MULT= 4          ISPLIT=15
      -4: X=0.70805000 Y=0.75000000 Z=0.84140000
      -4: X=0.79195000 Y=0.25000000 Z=0.34140000
      -4: X=0.20805000 Y=0.75000000 Z=0.65860000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00472000 Y=0.25000000 Z=0.05910000
          MULT= 4          ISPLIT=15
      -5: X=0.99528000 Y=0.75000000 Z=0.94090000
      -5: X=0.50472000 Y=0.25000000 Z=0.44090000
      -5: X=0.49528000 Y=0.75000000 Z=0.55910000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.19292000 Y=0.25000000 Z=0.63947000
          MULT= 4          ISPLIT=15
      -6: X=0.80708000 Y=0.75000000 Z=0.36053000
      -6: X=0.69292000 Y=0.25000000 Z=0.86053000
      -6: X=0.30708000 Y=0.75000000 Z=0.13947000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000