P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma    
MODE OF CALC=RELA unit=bohr
 13.504550 12.883397 16.328179 90.000000 90.000000 90.000000
ATOM  -1: X=0.39738000 Y=0.25000000 Z=0.54006000
          MULT= 4          ISPLIT=15
      -1: X=0.60262000 Y=0.75000000 Z=0.45994000
      -1: X=0.89738000 Y=0.25000000 Z=0.95994000
      -1: X=0.10262000 Y=0.75000000 Z=0.04006000
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=0.06254000 Y=0.25000000 Z=0.68431000
          MULT= 4          ISPLIT=15
      -2: X=0.93746000 Y=0.75000000 Z=0.31569000
      -2: X=0.56254000 Y=0.25000000 Z=0.81569000
      -2: X=0.43746000 Y=0.75000000 Z=0.18431000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.29075000 Y=0.25000000 Z=0.13471000
          MULT= 4          ISPLIT=15
      -3: X=0.70925000 Y=0.75000000 Z=0.86529000
      -3: X=0.79075000 Y=0.25000000 Z=0.36529000
      -3: X=0.20925000 Y=0.75000000 Z=0.63471000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.24770000 Y=0.25000000 Z=0.32320000
          MULT= 4          ISPLIT=15
      -4: X=0.75230000 Y=0.75000000 Z=0.67680000
      -4: X=0.74770000 Y=0.25000000 Z=0.17680000
      -4: X=0.25230000 Y=0.75000000 Z=0.82320000
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=0.14090000 Y=0.07200000 Z=0.06890000
          MULT= 8          ISPLIT=15
      -5: X=0.85910000 Y=0.92800000 Z=0.93110000
      -5: X=0.64090000 Y=0.07200000 Z=0.43110000
      -5: X=0.35910000 Y=0.92800000 Z=0.56890000
      -5: X=0.35910000 Y=0.57200000 Z=0.56890000
      -5: X=0.64090000 Y=0.42800000 Z=0.43110000
      -5: X=0.85910000 Y=0.57200000 Z=0.93110000
      -5: X=0.14090000 Y=0.42800000 Z=0.06890000
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