P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.083794 23.181270 27.588112 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.21150000 Y=0.01645000 Z=0.13797000
          MULT= 8          ISPLIT= 8
      -1: X=0.78850000 Y=0.98355000 Z=0.86203000
      -1: X=0.71150000 Y=0.01645000 Z=0.36203000
      -1: X=0.28850000 Y=0.98355000 Z=0.63797000
      -1: X=0.28850000 Y=0.51645000 Z=0.63797000
      -1: X=0.71150000 Y=0.48355000 Z=0.36203000
      -1: X=0.78850000 Y=0.51645000 Z=0.86203000
      -1: X=0.21150000 Y=0.48355000 Z=0.13797000
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  -2: X=0.23824000 Y=0.25000000 Z=0.39823000
          MULT= 4          ISPLIT= 8
      -2: X=0.76176000 Y=0.75000000 Z=0.60177000
      -2: X=0.73824000 Y=0.25000000 Z=0.10177000
      -2: X=0.26176000 Y=0.75000000 Z=0.89823000
Pd         NPT=  781  R0=.000010000 RMT= 2.44        Z:  46.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.03670000 Y=0.25000000 Z=0.58911000
          MULT= 4          ISPLIT= 8
      -3: X=0.96330000 Y=0.75000000 Z=0.41089000
      -3: X=0.53670000 Y=0.25000000 Z=0.91089000
      -3: X=0.46330000 Y=0.75000000 Z=0.08911000
I          NPT=  781  R0=.000010000 RMT= 2.44        Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00671000 Y=0.25000000 Z=0.77954000
          MULT= 4          ISPLIT= 8
      -4: X=0.99329000 Y=0.75000000 Z=0.22046000
      -4: X=0.50671000 Y=0.25000000 Z=0.72046000
      -4: X=0.49329000 Y=0.75000000 Z=0.27954000
I          NPT=  781  R0=.000010000 RMT= 2.44        Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.02066000 Y=0.25000000 Z=0.00448000
          MULT= 4          ISPLIT= 8
      -5: X=0.97934000 Y=0.75000000 Z=0.99552000
      -5: X=0.52066000 Y=0.25000000 Z=0.49552000
      -5: X=0.47934000 Y=0.75000000 Z=0.50448000
I          NPT=  781  R0=.000010000 RMT= 2.44        Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.47586000 Y=0.25000000 Z=0.20746000
          MULT= 4          ISPLIT= 8
      -6: X=0.52414000 Y=0.75000000 Z=0.79254000
      -6: X=0.97586000 Y=0.25000000 Z=0.29254000
      -6: X=0.02414000 Y=0.75000000 Z=0.70746000
I          NPT=  781  R0=.000010000 RMT= 2.44        Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.23315000 Y=0.03520000 Z=0.39406000
          MULT= 8          ISPLIT= 8
      -7: X=0.76685000 Y=0.96480000 Z=0.60594000
      -7: X=0.73315000 Y=0.03520000 Z=0.10594000
      -7: X=0.26685000 Y=0.96480000 Z=0.89406000
      -7: X=0.26685000 Y=0.53520000 Z=0.89406000
      -7: X=0.73315000 Y=0.46480000 Z=0.10594000
      -7: X=0.76685000 Y=0.53520000 Z=0.60594000
      -7: X=0.23315000 Y=0.46480000 Z=0.39406000
I          NPT=  781  R0=.000010000 RMT= 2.44        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000