P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 29.116900 20.363689 17.578232 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.06630000 Y=0.25000000 Z=0.01570000
          MULT= 4          ISPLIT= 8
      -1: X=0.93370000 Y=0.75000000 Z=0.98430000
      -1: X=0.56630000 Y=0.25000000 Z=0.48430000
      -1: X=0.43370000 Y=0.75000000 Z=0.51570000
Sb         NPT=  781  R0=.000010000 RMT= 2.46        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.34540000 Y=0.25000000 Z=0.14210000
          MULT= 4          ISPLIT= 8
      -2: X=0.65460000 Y=0.75000000 Z=0.85790000
      -2: X=0.84540000 Y=0.25000000 Z=0.35790000
      -2: X=0.15460000 Y=0.75000000 Z=0.64210000
Sb         NPT=  781  R0=.000010000 RMT= 2.46        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.13650000 Y=0.25000000 Z=0.49030000
          MULT= 4          ISPLIT= 8
      -3: X=0.86350000 Y=0.75000000 Z=0.50970000
      -3: X=0.63650000 Y=0.25000000 Z=0.00970000
      -3: X=0.36350000 Y=0.75000000 Z=0.99030000
Sb         NPT=  781  R0=.000010000 RMT= 2.46        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.30460000 Y=0.25000000 Z=0.61660000
          MULT= 4          ISPLIT= 8
      -4: X=0.69540000 Y=0.75000000 Z=0.38340000
      -4: X=0.80460000 Y=0.25000000 Z=0.88340000
      -4: X=0.19540000 Y=0.75000000 Z=0.11660000
Sb         NPT=  781  R0=.000010000 RMT= 2.46        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.40700000 Y=0.25000000 Z=0.40060000
          MULT= 4          ISPLIT= 8
      -5: X=0.59300000 Y=0.75000000 Z=0.59940000
      -5: X=0.90700000 Y=0.25000000 Z=0.09940000
      -5: X=0.09300000 Y=0.75000000 Z=0.90060000
Ga         NPT=  781  R0=.000050000 RMT= 2.34        Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.18080000 Y=0.25000000 Z=0.22230000
          MULT= 4          ISPLIT= 8
      -6: X=0.81920000 Y=0.75000000 Z=0.77770000
      -6: X=0.68080000 Y=0.25000000 Z=0.27770000
      -6: X=0.31920000 Y=0.75000000 Z=0.72230000
Ga         NPT=  781  R0=.000050000 RMT= 2.34        Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.27060000 Y=0.53590000 Z=0.39350000
          MULT= 8          ISPLIT= 8
      -7: X=0.72940000 Y=0.46410000 Z=0.60650000
      -7: X=0.77060000 Y=0.53590000 Z=0.10650000
      -7: X=0.22940000 Y=0.46410000 Z=0.89350000
      -7: X=0.22940000 Y=0.03590000 Z=0.89350000
      -7: X=0.77060000 Y=0.96410000 Z=0.10650000
      -7: X=0.72940000 Y=0.03590000 Z=0.60650000
      -7: X=0.27060000 Y=0.96410000 Z=0.39350000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.01800000 Y=0.53580000 Z=0.27920000
          MULT= 8          ISPLIT= 8
      -8: X=0.98200000 Y=0.46420000 Z=0.72080000
      -8: X=0.51800000 Y=0.53580000 Z=0.22080000
      -8: X=0.48200000 Y=0.46420000 Z=0.77920000
      -8: X=0.48200000 Y=0.03580000 Z=0.77920000
      -8: X=0.51800000 Y=0.96420000 Z=0.22080000
      -8: X=0.98200000 Y=0.03580000 Z=0.72080000
      -8: X=0.01800000 Y=0.96420000 Z=0.27920000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000