P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.419161 21.605239 18.810334 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04948000 Y=0.54356000 Z=0.30247000
          MULT= 8          ISPLIT= 8
      -1: X=0.95052000 Y=0.45644000 Z=0.69753000
      -1: X=0.54948000 Y=0.54356000 Z=0.19753000
      -1: X=0.45052000 Y=0.45644000 Z=0.80247000
      -1: X=0.45052000 Y=0.04356000 Z=0.80247000
      -1: X=0.54948000 Y=0.95644000 Z=0.19753000
      -1: X=0.95052000 Y=0.04356000 Z=0.69753000
      -1: X=0.04948000 Y=0.95644000 Z=0.30247000
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=0.14820000 Y=0.25000000 Z=0.08890000
          MULT= 4          ISPLIT= 8
      -2: X=0.85180000 Y=0.75000000 Z=0.91110000
      -2: X=0.64820000 Y=0.25000000 Z=0.41110000
      -2: X=0.35180000 Y=0.75000000 Z=0.58890000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.22540000 Y=0.25000000 Z=0.52270000
          MULT= 4          ISPLIT= 8
      -3: X=0.77460000 Y=0.75000000 Z=0.47730000
      -3: X=0.72540000 Y=0.25000000 Z=0.97730000
      -3: X=0.27460000 Y=0.75000000 Z=0.02270000
As         NPT=  781  R0=.000050000 RMT= 2.17        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.19660000 Y=0.25000000 Z=0.75300000
          MULT= 4          ISPLIT= 8
      -4: X=0.80340000 Y=0.75000000 Z=0.24700000
      -4: X=0.69660000 Y=0.25000000 Z=0.74700000
      -4: X=0.30340000 Y=0.75000000 Z=0.25300000
Se         NPT=  781  R0=.000050000 RMT= 2.17        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.01110000 Y=0.25000000 Z=0.41830000
          MULT= 4          ISPLIT= 8
      -5: X=0.98890000 Y=0.75000000 Z=0.58170000
      -5: X=0.51110000 Y=0.25000000 Z=0.08170000
      -5: X=0.48890000 Y=0.75000000 Z=0.91830000
Se         NPT=  781  R0=.000050000 RMT= 2.17        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.34228000 Y=0.08195000 Z=0.46303000
          MULT= 8          ISPLIT= 8
      -6: X=0.65772000 Y=0.91805000 Z=0.53697000
      -6: X=0.84228000 Y=0.08195000 Z=0.03697000
      -6: X=0.15772000 Y=0.91805000 Z=0.96303000
      -6: X=0.15772000 Y=0.58195000 Z=0.96303000
      -6: X=0.84228000 Y=0.41805000 Z=0.03697000
      -6: X=0.65772000 Y=0.58195000 Z=0.53697000
      -6: X=0.34228000 Y=0.41805000 Z=0.46303000
Se         NPT=  781  R0=.000050000 RMT= 2.17        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000