P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.875254 11.189068 14.150269 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.17760000 Y=0.25000000 Z=0.66230000
          MULT= 4          ISPLIT= 8
      -1: X=0.82240000 Y=0.75000000 Z=0.33770000
      -1: X=0.67760000 Y=0.25000000 Z=0.83770000
      -1: X=0.32240000 Y=0.75000000 Z=0.16230000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.07019000 Y=0.25000000 Z=0.18470000
          MULT= 4          ISPLIT= 8
      -2: X=0.92981000 Y=0.75000000 Z=0.81530000
      -2: X=0.57019000 Y=0.25000000 Z=0.31530000
      -2: X=0.42981000 Y=0.75000000 Z=0.68470000
Br         NPT=  781  R0=.000050000 RMT= 1.57        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.20700000 Y=0.25000000 Z=0.04800000
          MULT= 4          ISPLIT= 8
      -3: X=0.79300000 Y=0.75000000 Z=0.95200000
      -3: X=0.70700000 Y=0.25000000 Z=0.45200000
      -3: X=0.29300000 Y=0.75000000 Z=0.54800000
O          NPT=  781  R0=.000100000 RMT= 1.42        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.41400000 Y=0.25000000 Z=0.42300000
          MULT= 4          ISPLIT= 8
      -4: X=0.58600000 Y=0.75000000 Z=0.57700000
      -4: X=0.91400000 Y=0.25000000 Z=0.07700000
      -4: X=0.08600000 Y=0.75000000 Z=0.92300000
O          NPT=  781  R0=.000100000 RMT= 1.42        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.08110000 Y=0.02770000 Z=0.30900000
          MULT= 8          ISPLIT= 8
      -5: X=0.91890000 Y=0.97230000 Z=0.69100000
      -5: X=0.58110000 Y=0.02770000 Z=0.19100000
      -5: X=0.41890000 Y=0.97230000 Z=0.80900000
      -5: X=0.41890000 Y=0.52770000 Z=0.80900000
      -5: X=0.58110000 Y=0.47230000 Z=0.19100000
      -5: X=0.91890000 Y=0.52770000 Z=0.69100000
      -5: X=0.08110000 Y=0.47230000 Z=0.30900000
O          NPT=  781  R0=.000100000 RMT= 1.42        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000