P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.411937 19.811889 17.610358 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.28726000 Y=0.25000000 Z=0.01473000
          MULT= 4          ISPLIT= 8
      -1: X=0.71274000 Y=0.75000000 Z=0.98527000
      -1: X=0.78726000 Y=0.25000000 Z=0.48527000
      -1: X=0.21274000 Y=0.75000000 Z=0.51473000
Nb         NPT=  781  R0=.000010000 RMT= 2.26        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.05566000 Y=0.04444000 Z=0.28834000
          MULT= 8          ISPLIT= 8
      -2: X=0.94434000 Y=0.95556000 Z=0.71166000
      -2: X=0.55566000 Y=0.04444000 Z=0.21166000
      -2: X=0.44434000 Y=0.95556000 Z=0.78834000
      -2: X=0.44434000 Y=0.54444000 Z=0.78834000
      -2: X=0.55566000 Y=0.45556000 Z=0.21166000
      -2: X=0.94434000 Y=0.54444000 Z=0.71166000
      -2: X=0.05566000 Y=0.45556000 Z=0.28834000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36443000 Y=0.25000000 Z=0.57970000
          MULT= 4          ISPLIT= 8
      -3: X=0.63557000 Y=0.75000000 Z=0.42030000
      -3: X=0.86443000 Y=0.25000000 Z=0.92030000
      -3: X=0.13557000 Y=0.75000000 Z=0.07970000
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  -4: X=0.01057000 Y=0.25000000 Z=0.58481000
          MULT= 4          ISPLIT= 8
      -4: X=0.98943000 Y=0.75000000 Z=0.41519000
      -4: X=0.51057000 Y=0.25000000 Z=0.91519000
      -4: X=0.48943000 Y=0.75000000 Z=0.08481000
S          NPT=  781  R0=.000100000 RMT= 1.95        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.30846000 Y=0.25000000 Z=0.25429000
          MULT= 4          ISPLIT= 8
      -5: X=0.69154000 Y=0.75000000 Z=0.74571000
      -5: X=0.80846000 Y=0.25000000 Z=0.24571000
      -5: X=0.19154000 Y=0.75000000 Z=0.75429000
S          NPT=  781  R0=.000100000 RMT= 1.95        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.33272000 Y=0.57233000 Z=0.44883000
          MULT= 8          ISPLIT= 8
      -6: X=0.66728000 Y=0.42767000 Z=0.55117000
      -6: X=0.83272000 Y=0.57233000 Z=0.05117000
      -6: X=0.16728000 Y=0.42767000 Z=0.94883000
      -6: X=0.16728000 Y=0.07233000 Z=0.94883000
      -6: X=0.83272000 Y=0.92767000 Z=0.05117000
      -6: X=0.66728000 Y=0.07233000 Z=0.55117000
      -6: X=0.33272000 Y=0.92767000 Z=0.44883000
S          NPT=  781  R0=.000100000 RMT= 1.95        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000